SCHEMBL8095367

SCHEMBL8095367

CC(Cc1ccc(C#N)cc1)(NC(=O)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1)c1cnc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
GAA P10253 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CCR2 P41597 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ACKR3 P25106 2/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL8088210 0.90 TSHR (0.40) MEN1KMT2ACCR2CYP1A2CYP3A4
SCHEMBL8097852 0.90 KDM4E (0.46) KDM4EMEN1KMT2ACCR2CYP3A4
SCHEMBL8088938 0.90 KDM4E (0.46) KDM4EMEN1KMT2ACCR2CYP3A4
SCHEMBL8095399 0.90 CYP3A4 (0.44) KDM4EMEN1KMT2ACCR2CYP1A2
SCHEMBL8103823 0.90 FNTA (0.43) KDM4EMEN1KMT2AACKR3
SCHEMBL8095353 0.89 KMT2A (0.48) MEN1KMT2AACKR3
SCHEMBL8088418 0.88 CYP2C9 (0.40) KDM4EOPRM1OPRD1MEN1KMT2A
SCHEMBL8098292 0.86 ATM (0.38) KDM4EGAAMEN1KMT2ACCR2
SCHEMBL8088441 0.84 ALDH1A1 (0.43) KDM4EGAAMEN1KMT2ACCR2
SCHEMBL8101586 0.84 GPBAR1 (0.35) GAACYP2C9MAPT

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