SCHEMBL8095564

SCHEMBL8095564

CC(Cc1ccc(C#N)cc1)(NC(=O)[C@H]1CCCN(CC(c2ccccc2)c2cccc(CN)c2)C1)c1cnc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.36
CCR5 P51681 3/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR2 P41597 2/20 0.33
KLKB1 P03952 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
ERG P11308 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL446561 0.93 ALOX12 (0.40) ALOX12CCR5KMT2ACYP19A1CCR2
SCHEMBL8095891 0.92 SMN1; SMN2 (0.39) ALOX12CCR5KMT2ACYP19A1SMN1; SMN2
SCHEMBL8097458 0.92 ALOX12 (0.36) ALOX12CCR5KMT2ACYP19A1CCR2
SCHEMBL8088418 0.90 CYP2C9 (0.40) ALOX12CCR5KMT2ACYP19A1CCR2
SCHEMBL8095471 0.89 ATM (0.39) ALOX12CCR5KMT2ACYP19A1SMN1; SMN2
SCHEMBL8097934 0.88 KMT2A (0.46) ALOX12CCR5KMT2ACYP19A1CCR2
SCHEMBL8101381 0.87 CCR5 (0.38) ALOX12CCR5KMT2ACYP19A1CCR2
SCHEMBL8095399 0.85 CYP3A4 (0.44) KMT2ASMN1; SMN2CCR2HTTROCK2
SCHEMBL8104356 0.85 CCR5 (0.39) ALOX12CCR5KMT2ACYP19A1SMN1; SMN2
SCHEMBL8095905 0.85 GSK3B (0.38) ALOX12TSHRGPBAR1ERG

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