SCHEMBL8103823

SCHEMBL8103823

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
KMT2A Q03164 4/20 0.41
MCHR1 Q99705 1/20 0.41
MEN1 O00255 3/20 0.40
GPR6 P46095 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CNR1 P21554 4/20 0.38
CHRM4 P08173 2/20 0.38
ACKR3 P25106 1/20 0.37

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
SCHEMBL8095353 0.93 KMT2A (0.48) KMT2AMEN1CHRM4ACKR3
SCHEMBL8095367 0.90 KDM4E (0.45) KMT2AMEN1KDM4EACKR3
SCHEMBL8088210 0.88 TSHR (0.40) KMT2AMEN1TSHRHTTACKR3
SCHEMBL8088938 0.88 KDM4E (0.46) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL8097852 0.88 KDM4E (0.46) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL8095399 0.88 CYP3A4 (0.44) KMT2AMEN1CHRM2CHRM1HTT
SCHEMBL8102498 0.86 KDM2B (0.41) KMT2AMEN1CHRM4
SCHEMBL8098292 0.85 ATM (0.38) KMT2AMEN1HTTKDM4ECHRM4
SCHEMBL8088441 0.83 ALDH1A1 (0.43) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL8095905 0.81 GSK3B (0.38) TSHRCHRM4

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