SCHEMBL8097934

SCHEMBL8097934

CC(CN1CCCC(C(=O)NC(C)(Cc2ccc(C#N)cc2)c2cnc[nH]2)C1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ALOX12 P18054 1/20 0.41
CCR5 P51681 3/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
CYP19A1 P11511 1/20 0.36
EP300 Q09472 5/20 0.35
CCR2 P41597 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRK1 P41145 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
SCHEMBL446561 0.94 ALOX12 (0.40) KMT2AALOX12CCR5CYP19A1CCR2
SCHEMBL8095905 0.91 GSK3B (0.38) ALOX12
SCHEMBL8095471 0.90 ATM (0.39) KMT2AALOX12CCR5CYP19A1CCR2
SCHEMBL8104356 0.90 CCR5 (0.39) KMT2AALOX12CCR5CYP19A1EP300
SCHEMBL8101381 0.90 CCR5 (0.38) KMT2AALOX12CCR5CYP19A1CCR2
SCHEMBL8095891 0.89 SMN1; SMN2 (0.39) KMT2AALOX12CCR5CYP19A1CCR2
SCHEMBL8095399 0.89 CYP3A4 (0.44) KMT2AALDH1A1KDM4EHPGDCCR2
SCHEMBL8097458 0.88 ALOX12 (0.36) KMT2AALOX12CCR5ALDH1A1KDM4E
SCHEMBL8097919 0.88 ALOX12 (0.42) ALOX12CCR5CYP19A1
SCHEMBL8095564 0.88 ALOX12 (0.36) KMT2AALOX12CCR5CYP19A1CCR2

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