SCHEMBL8095919

SCHEMBL8095919

CC(Cc1ccc(C#N)cc1)(NC(=O)[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1)c1cnc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.40
CCR5 P51681 1/20 0.38
KMT2A Q03164 1/20 0.36
ITGB3 P05106 9/20 0.36
ITGA2B P08514 9/20 0.36
F2R P25116 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ERG P11308 1/20 0.35
CYP19A1 P11511 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
SCHEMBL8103721 0.88 ITGB3 (0.39) KMT2AITGB3ITGA2BF2RGPBAR1
SCHEMBL8098228 0.88 ALOX12 (0.41) ALOX12CCR5GPBAR1L3MBTL1ERG
SCHEMBL446561 0.87 ALOX12 (0.40) ALOX12CCR5KMT2AGPBAR1L3MBTL1
SCHEMBL8097919 0.87 ALOX12 (0.42) ALOX12CCR5GPBAR1L3MBTL1ERG
SCHEMBL8104346 0.87 HPGD (0.43) KMT2A
SCHEMBL8101919 0.87 CYP19A1 (0.34) CCR5CYP19A1
SCHEMBL8101922 0.87 CYP19A1 (0.34) CCR5CYP19A1
SCHEMBL8088397 0.87 GAA (0.39) ALOX12KMT2AGPBAR1L3MBTL1ERG
SCHEMBL8097934 0.86 KMT2A (0.46) ALOX12CCR5KMT2ACYP19A1
SCHEMBL8097933 0.86 GPBAR1 (0.42) CCR5GPBAR1ERG

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 8 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
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO disclosed