SCHEMBL8095353

SCHEMBL8095353

COc1cccc(CN2CCC[C@H](C(=O)NC(C)(Cc3ccc(C#N)cc3)c3cnc[nH]3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.48
MEN1 O00255 3/20 0.48
CHRM4 P08173 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ACKR3 P25106 1/20 0.41
KDM2B Q8NHM5 2/20 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
SCHEMBL8102498 0.93 KDM2B (0.41) KMT2AMEN1CHRM4KDM2B
SCHEMBL8103823 0.93 FNTA (0.43) KMT2AMEN1CHRM4ACKR3
SCHEMBL8088938 0.90 KDM4E (0.46) KMT2AMEN1ACKR3
SCHEMBL8088210 0.90 TSHR (0.40) KMT2AMEN1SMN1; SMN2ACKR3
SCHEMBL8097852 0.90 KDM4E (0.46) KMT2AMEN1ACKR3
SCHEMBL8095399 0.90 CYP3A4 (0.44) KMT2AMEN1CHRM4SMN1; SMN2
SCHEMBL8095367 0.89 KDM4E (0.45) KMT2AMEN1ACKR3
SCHEMBL8098292 0.86 ATM (0.38) KMT2AMEN1CHRM4
SCHEMBL8088441 0.84 ALDH1A1 (0.43) KMT2AMEN1
SCHEMBL8095905 0.83 GSK3B (0.38) CHRM4KDM2B

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