SCHEMBL7288783

SCHEMBL7288783

c1ccc(C(CN2CCNCC2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SLC6A4 P31645 7/20 0.50
SLC6A2 P23975 6/20 0.50
RAD52 P43351 1/20 0.47
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SLC6A3 Q01959 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7967174 0.90 SLC6A4 (0.55) SIGMAR1MEN1KMT2ASLC6A4SLC6A2
SCHEMBL7289000 0.83 SLC6A2 (0.57) SIGMAR1SLC6A4SLC6A2SLC6A3
SCHEMBL1977577 0.83 SLC6A2 (0.57) SIGMAR1SLC6A4SLC6A2HTR3EHTR3B
SCHEMBL14035360 0.83 GAA (0.65) SIGMAR1MEN1KMT2ARAD52
SCHEMBL2797036 0.83 GAA (0.65) SIGMAR1MEN1KMT2ARAD52
SCHEMBL8305793 0.83 ALDH1A1 (0.63) SIGMAR1MEN1KMT2ASLC6A4SLC6A2
SCHEMBL14035242 0.83 GAA (0.65) SIGMAR1MEN1KMT2ARAD52
SCHEMBL24672687 0.82 GAA (0.63) SIGMAR1MEN1KMT2ARAD52
Hydrochloric Acid SCHEMBL4463437 0.82 GAA (0.63) SIGMAR1MEN1KMT2ARAD52
Hydrochloric Acid SCHEMBL3844155 0.82 GAA (0.63) SIGMAR1MEN1KMT2ARAD52

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3007229-A None JP disclosed
CN-106866555-B 1- benzhydryl -4- methyl piperazine class compound preparation method and application 东南大学 2019-04-30 CN disclosed
CN-106866555-B 1- benzhydryl -4- methyl piperazine class compound preparation method and application 东南大学 2019-04-30 CN disclosed
CN-106866555-A The methyl piperazine class compound its preparation method of 1 benzhydryl 4 and application 东南大学 2017-06-20 CN disclosed
CN-106029060-A piperidine and piperidine derivatives and their use in the treatment of viral infections and cancer 美国卫生和人力服务部 2016-10-12 CN disclosed
EP-0691962-B1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AG (DE) 2000-09-13 EP disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
US-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed
EP-0388081-B1 Agent for the treatment of disorders of the cerebral neurotransmitter system SANTEN PHARMACEUTICAL CO LTD (JP) 1995-12-27 EP disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0388081-A2 Agent for the treatment of disorders of the cerebral neurotransmitter system SANTEN PHARMACEUTICAL CO., LTD. (JP) 1990-09-19 EP disclosed
US-4935417-A CALCIUM CHANNEL BLOCKERS SYNTEX PHARMACEUTICALS LTD. (BM) 1990-06-19 US disclosed
US-4933329-A Bis-S-alkylbenzene derivatives GREEN CROSS CORPORATION (JP) 1990-06-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP disclosed
EP-0319947-A2 Bis-S-alkylbenzene derivatives GREEN CROSS CORPORATION (JP) 1989-06-14 EP disclosed
US-4829065-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1989-05-09 US disclosed
EP-0289227-A1 Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS LTD. (GB) 1988-11-02 EP disclosed
US-4603135-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-07-29 US disclosed
EP-0138505-A2 Dihydropyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-04-24 EP disclosed
US-4361562-A CARDIOTONIC, ANTIARRHYTHMIC AND ADRENOCEPTOR BLOCKING AGENTS SANDOZ LTD. (CH) 1982-11-30 US disclosed