SCHEMBL7530778

SCHEMBL7530778

Cc1ncc(C(Cc2ccc(C#N)cc2)N2CCN(C(=O)NCCc3cccc(C(F)(F)F)c3)CC2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
P2RY12 Q9H244 1/20 0.39
VNN1 O95497 1/20 0.38
DPP4 P27487 1/20 0.37
NPC1 O15118 1/20 0.37
ELANE P08246 5/20 0.37
NAMPT P43490 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRM4 P08173 3/20 0.36
CCR2 P41597 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
KCNK3 O14649 1/20 0.36
SLC1A2 P43004 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7461869 0.78 FNTA (0.46)
SCHEMBL7465336 0.74 FNTA (0.47)
SCHEMBL7658608 0.74 FNTA (0.52)
SCHEMBL7468926 0.74 FNTA (0.44)
SCHEMBL7668376 0.72 SLC6A4 (0.44) SLC6A4
SCHEMBL7650231 0.71 FNTA (0.60) SLC6A4KCNH2
SCHEMBL7464816 0.71 FNTA (0.47)
SCHEMBL7463179 0.71 FNTA (0.46)
SCHEMBL7189895 0.70 P2RY12 (0.43) P2RY12VNN1NAMPTSLC1A2
SCHEMBL7466130 0.70 FNTA (0.49)

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
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US claimed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO claimed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed