SCHEMBL8963742

SCHEMBL8963742

CC(C)(C)c1ccccc1C(c1ccccc1C(C)(C)C)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
OPRD1 P41143 13/20 0.49
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
TACR1 P25103 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL8963664 0.77 MEN1 (0.56) MEN1KMT2AOPRD1CYP2D6CYP19A1
SCHEMBL8963904 0.75 OPRD1 (0.56) MEN1KMT2AOPRD1CYP2D6SLC6A2
SCHEMBL3426974 0.74 MEN1 (0.56) MEN1KMT2AOPRD1CYP2D6CYP19A1
SCHEMBL5011686 0.74 MEN1 (0.56) MEN1KMT2AOPRD1CYP2D6CYP19A1
SCHEMBL630979 0.70 ADRB1 (0.59) CYP2D6
SCHEMBL38664325 0.70 ADRB1 (0.59) CYP2D6
Hydrochloric Acid SCHEMBL631231 0.69 ADRB1 (0.58) CYP2D6
SCHEMBL8963892 0.69 OPRD1 (0.68) MEN1KMT2AOPRD1CYP2D6CYP19A1
SCHEMBL16226835 0.69 SLC6A2 (0.47) MEN1KMT2AOPRD1CYP2D6SLC6A2
SCHEMBL2794662 0.69 MEN1 (1.00) MEN1KMT2AOPRD1CYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed
US-5276034-A Cardiovascular disorders, nervous system disorders, diuretics, antiischemic agents or antispasmodic agents SYNTEX PHARMACEUTICAL LTD. (GB) 1994-01-04 US disclosed
US-5252736-A Calcium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1993-10-12 US disclosed
US-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed
EP-0289227-B1 SUBSTITUTED IMIDAZOLYL-ALKYL-PIPERAZINE AND -DIAZEPINE DERIVATIVES SYNTEX PHARMACEUTICALS LTD. (GB) 1992-04-08 EP disclosed
US-5091428-A Calcium channel blockers preferential for cerebral blood vessels SYNTEX PHARMACEUTICALS, LTD. (BM) 1992-02-25 US disclosed
US-5043447-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1991-08-27 US disclosed
US-5010075-A Antiepilepic, hypotensive, antiarrhythmia, antiischemic agent SYNTEX PHARMACEUTICALS LTD. (GB) 1991-04-23 US disclosed
US-4935417-A CALCIUM CHANNEL BLOCKERS SYNTEX PHARMACEUTICALS LTD. (BM) 1990-06-19 US 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