SCHEMBL8102498

SCHEMBL8102498

COc1cccc(CCN2CCC[C@H](C(=O)NC(C)(Cc3ccc(C#N)cc3)c3cnc[nH]3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 3/20 0.40
CHRM4 P08173 1/20 0.40
DRD3 P35462 1/20 0.39
SMYD2 Q9NRG4 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL8095353 0.93 KMT2A (0.48) KDM2BKMT2AMEN1CHRM4
SCHEMBL8097381 0.86 KDM4E (0.45) KMT2ADRD3HRH3
SCHEMBL8103823 0.86 FNTA (0.43) KMT2AMEN1CHRM4
SCHEMBL8089023 0.84 GPBAR1 (0.36) DRD3
SCHEMBL8095399 0.84 CYP3A4 (0.44) KMT2AMEN1CHRM4
SCHEMBL8099956 0.84 DRD3 (0.38) CHRM4DRD3
SCHEMBL8088938 0.83 KDM4E (0.46) KMT2AMEN1
SCHEMBL8097852 0.83 KDM4E (0.46) KMT2AMEN1
SCHEMBL8088210 0.83 TSHR (0.40) KMT2AMEN1
SCHEMBL8095367 0.82 KDM4E (0.45) KMT2AMEN1

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