SCHEMBL8095905

SCHEMBL8095905

CC(C)CN1CCC[C@H](C(=O)NC(C)(Cc2ccc(C#N)cc2)c2cnc[nH]2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.38
DYRK1A Q13627 3/20 0.38
WNT1 P04628 2/20 0.38
GPBAR1 Q8TDU6 7/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ERG P11308 2/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C9 P11712 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ATM Q13315 1/20 0.35
ALOX12 P18054 1/20 0.35
CHRM4 P08173 1/20 0.35
KDM2B Q8NHM5 1/20 0.35

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
SCHEMBL8097934 0.91 KMT2A (0.46) ALOX12
SCHEMBL446561 0.91 ALOX12 (0.40) GPBAR1L3MBTL1ERGALOX12
SCHEMBL8095399 0.88 CYP3A4 (0.44) L3MBTL1CYP2C9CHRM4
SCHEMBL8104356 0.87 CCR5 (0.39) GPBAR1L3MBTL1ERGALOX12
SCHEMBL8095471 0.87 ATM (0.39) ATMALOX12
SCHEMBL8101381 0.86 CCR5 (0.38) GPBAR1ATMALOX12
SCHEMBL8098292 0.86 ATM (0.38) GPBAR1ERGNPSR1ATMCHRM4
SCHEMBL8098346 0.86 HRH3 (0.33) HRH3CHRM4
SCHEMBL8098343 0.86 HRH3 (0.33) HRH3CHRM4
SCHEMBL8095891 0.86 SMN1; SMN2 (0.39) GPBAR1L3MBTL1TSHRNPSR1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP claimed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP claimed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO claimed
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed