SCHEMBL8097458

SCHEMBL8097458

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.36
CCR5 P51681 3/20 0.36
CCR2 P41597 1/20 0.35
LMNA P02545 2/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM2B Q8NHM5 3/20 0.34
CYP19A1 P11511 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8095471 0.94 ATM (0.39) ALOX12CCR5CCR2ATMCYP19A1
SCHEMBL446561 0.94 ALOX12 (0.40) ALOX12CCR5CCR2CYP19A1KMT2A
SCHEMBL8095891 0.93 SMN1; SMN2 (0.39) ALOX12CCR5CCR2POLBCYP19A1
SCHEMBL8095564 0.92 ALOX12 (0.36) ALOX12CCR5CCR2CYP19A1KMT2A
SCHEMBL8088418 0.91 CYP2C9 (0.40) ALOX12CCR5CCR2ALDH1A1CYP19A1
SCHEMBL8101381 0.91 CCR5 (0.38) ALOX12CCR5CCR2ATMCYP19A1
SCHEMBL8097934 0.88 KMT2A (0.46) ALOX12CCR5CCR2ALDH1A1CYP19A1
SCHEMBL8097852 0.88 KDM4E (0.46) CCR2LMNAPOLBALDH1A1MEN1
SCHEMBL8088938 0.88 KDM4E (0.46) CCR2LMNAPOLBALDH1A1MEN1
SCHEMBL8095399 0.86 CYP3A4 (0.44) CCR2ALDH1A1MEN1KMT2AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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