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SCHEMBL4029451

SCHEMBL4029451

CNCCN1C[C@H](C(=O)c2cccc(O)c2)C(c2cccc(F)c2C)[C@@H](C(=O)c2cccc(O)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 13/20 0.37
▸ PRMT6 Q96LA8 13/20 0.37
▸ KDM2B Q8NHM5 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PRMT8 Q9NR22 1/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32

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
SCHEMBL4024736 0.94 DRD3 (0.34) CARM1PRMT6KDM2BMEN1KMT2A
SCHEMBL4021552 0.94 DRD3 (0.36) KDM2BMEN1KMT2A
SCHEMBL4022484 0.92 CARM1 (0.32) CARM1PRMT6KDM2BMEN1KMT2A
SCHEMBL4029054 0.92 KDM2B (0.33) CARM1PRMT6KDM2BPRMT8
SCHEMBL4024826 0.92 GAA (0.36) CARM1PRMT6MEN1KMT2AMGLL
SCHEMBL4025226 0.90 OPRM1 (0.35) KDM2BMEN1KMT2AOPRM1
SCHEMBL4025235 0.90 OPRM1 (0.35) KDM2BMEN1KMT2AOPRM1
SCHEMBL4024718 0.90 KDM4E (0.34) KDM2BMEN1KMT2AMGLLOPRM1
SCHEMBL4021154 0.90 KDM4E (0.34) KDM2BMEN1KMT2AMGLLOPRM1
SCHEMBL13721491 0.90 KDM4E (0.34) KDM2BMEN1KMT2AMGLLOPRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 — — US claimed