SCHEMBL7473670

SCHEMBL7473670

Cc1ncc(C(Cc2ccc(C#N)cc2)N2CCN(C(=O)NCc3cc(C(F)(F)F)ccc3F)CC2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.40
USP30 Q70CQ3 1/20 0.39
RORC P51449 2/20 0.38
SYK P43405 1/20 0.36
CHRNA7 P36544 5/20 0.36
PANK3 Q9H999 1/20 0.36
VNN1 O95497 4/20 0.35
P2RY12 Q9H244 2/20 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
SCHEMBL7530778 0.85 TRPV1 (0.40) VNN1P2RY12
SCHEMBL7461869 0.83 FNTA (0.46) KIT
SCHEMBL7465336 0.75 FNTA (0.47)
SCHEMBL7658608 0.74 FNTA (0.52) PANK3
SCHEMBL7468926 0.74 FNTA (0.44)
SCHEMBL7668376 0.72 SLC6A4 (0.44)
SCHEMBL7650231 0.72 FNTA (0.60)
SCHEMBL7464816 0.71 FNTA (0.47)
SCHEMBL7463179 0.71 FNTA (0.46)
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