SCHEMBL8102230

SCHEMBL8102230

COC(=O)[C@@H]1C[C@H](C(=O)NC(C)(Cc2ccc(C#N)cc2)c2cnc[nH]2)CN(Cc2cccc3ccccc23)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
FNTA P49354 10/20 0.33
FNTB P49356 10/20 0.33
PGGT1B P53609 7/20 0.33
CLPP Q16740 1/20 0.33
SSTR4 P31391 1/20 0.32
JAK2 O60674 1/20 0.32
HTT P42858 1/20 0.32
PPARG P37231 1/20 0.31

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
SCHEMBL8102234 1.00 RAB9A (0.36) RAB9APDCD1CD274FNTAFNTB
SCHEMBL8095942 0.89 FNTA (0.37) FNTAFNTBPGGT1BJAK2
SCHEMBL8095949 0.89 FNTA (0.37) FNTAFNTBPGGT1BJAK2
SCHEMBL8097913 0.85 L3MBTL1 (0.39) FNTAFNTBPGGT1B
SCHEMBL8097906 0.85 L3MBTL1 (0.39) FNTAFNTBPGGT1B
SCHEMBL8098386 0.85 CYP11B1 (0.34) FNTAFNTB
SCHEMBL8098378 0.85 CYP11B1 (0.34) FNTAFNTB
SCHEMBL8097065 0.84 CYP19A1 (0.36) FNTAFNTB
SCHEMBL8097062 0.84 CYP19A1 (0.36) FNTAFNTB
SCHEMBL8103769 0.84 CYP19A1 (0.36) FNTAFNTB

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 2 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
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed