SCHEMBL8097933

SCHEMBL8097933

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 12/20 0.42
ERG P11308 4/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP3A4 P08684 2/20 0.39
CHRM4 P08173 1/20 0.39
CCR5 P51681 1/20 0.38
PRKAA2 P54646 2/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38

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
SCHEMBL8098510 0.92 SMN1; SMN2 (0.42) GPBAR1ERGCYP2C9CYP3A4BCL9
SCHEMBL8095399 0.88 CYP3A4 (0.44) CYP2C9CYP3A4CHRM4PRKAA2
SCHEMBL8098228 0.87 ALOX12 (0.41) GPBAR1ERGGAACYP2C9CCR5
SCHEMBL8101513 0.87 L3MBTL1 (0.46) GAA
SCHEMBL8103721 0.87 ITGB3 (0.39) GPBAR1ERGGAA
SCHEMBL8097919 0.86 ALOX12 (0.42) GPBAR1ERGGAACYP2C9CCR5
SCHEMBL446561 0.86 ALOX12 (0.40) GPBAR1ERGCCR5
SCHEMBL8104346 0.86 HPGD (0.43) GAA
SCHEMBL8095919 0.86 ALOX12 (0.40) GPBAR1ERGCCR5
SCHEMBL8101586 0.86 GPBAR1 (0.35) GPBAR1ERGGAAMAPTCYP2C9

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