SCHEMBL4029269

SCHEMBL4029269

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCO)C[C@@H]1C(=O)c1cccc(O)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
HSD17B1 P14061 3/20 0.32
HSD17B2 P37059 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
TNF P01375 1/20 0.30
RAB9A P51151 1/20 0.30
NOD1 Q9Y239 1/20 0.30
MGLL Q99685 1/20 0.30
FASN P49327 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL4019668 0.95 HRH2 (0.34) KDM2BTAS1R3TAS1R1TAS1R2MEN1
SCHEMBL4024566 0.93 EED (0.33) KDM2BTAS1R3TAS1R1TAS1R2MEN1
SCHEMBL4028155 0.92 KMT2A (0.34) KDM2BTAS1R3TAS1R1TAS1R2MEN1
SCHEMBL4020633 0.92 MEN1 (0.35) KDM2BMEN1KMT2AMGLL
SCHEMBL4019728 0.92 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL4022598 0.91 MEN1 (0.35) KDM2BTAS1R3TAS1R1TAS1R2MEN1
SCHEMBL4029054 0.91 KDM2B (0.33) KDM2BTAS1R3TAS1R1TAS1R2HSD17B1
SCHEMBL4751303 0.88 KDM2B (0.33) KDM2BMEN1KMT2AMGLL
SCHEMBL4027984 0.85 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL4027024 0.85 HTR2A (0.35) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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