SCHEMBL7471631

SCHEMBL7471631

CN(CCc1ccccc1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.62
ACHE P22303 2/20 0.57
CHIA Q9BZP6 1/20 0.54
CHRM2 P08172 1/20 0.53
CHRM3 P20309 1/20 0.53
SIGMAR1 Q99720 4/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
CYP2D6 P10635 1/20 0.53
CHRM1 P11229 1/20 0.53
HRH1 P35367 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52

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
Hydrochloric Acid SCHEMBL7472091 0.98 OPRM1 (0.61) OPRM1ACHECHIACHRM2CHRM3
SCHEMBL5570638 0.92 ACHE (0.62) OPRM1ACHECHRM2CHRM3SIGMAR1
SCHEMBL4912213 0.88 ACHE (0.57) OPRM1ACHESIGMAR1HTR2AHTR2C
SCHEMBL27357611 0.87 OPRM1 (0.50) OPRM1ACHECHIASIGMAR1SLC6A2
SCHEMBL2056178 0.84 GRIN2B (0.58) CHIASIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8792230 0.84 ACHE (0.60) OPRM1ACHESIGMAR1HTR2AHTR2C
SCHEMBL1967143 0.84 GRIN2B (0.63) OPRM1CHIASIGMAR1HTR2AHTR2B
SCHEMBL22878119 0.83 CHIA (0.55) CHIASIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL17284222 0.83 CHIA (0.58) CHIASIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6226850 0.83 HRH3 (0.59) SIGMAR1HTR2ACHRM1MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
US-5260318-A Phenylpiperidylamines and drugs containing them BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed