SCHEMBL4028177

SCHEMBL4028177

CNCCN1C[C@H](C(=O)c2cccc(O)c2F)C(c2cccc(F)c2C)[C@@H](C(=O)c2cccc(O)c2F)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 11/20 0.35
PRMT6 Q96LA8 11/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
PRMT8 Q9NR22 1/20 0.31
TAAR1 Q96RJ0 2/20 0.31
CYP2D6 P10635 1/20 0.31
MGLL Q99685 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 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
SCHEMBL4029054 0.92 KDM2B (0.33) CARM1PRMT6TAS1R3TAS1R1TAS1R2
SCHEMBL4024780 0.90 KDM4E (0.34) TAS1R3TAS1R1TAS1R2
SCHEMBL4019728 0.89 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2HRH2HRH1
SCHEMBL4022484 0.85 CARM1 (0.32) CARM1PRMT6TAS1R3TAS1R1TAS1R2
SCHEMBL4027811 0.83 KDM1A (0.34) TAS1R3TAS1R1TAS1R2
SCHEMBL4029451 0.82 CARM1 (0.37) CARM1PRMT6PRMT8MGLLMEN1
SCHEMBL4027024 0.82 HTR2A (0.35) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL4751580 0.82 KIF11 (0.35) TAS1R3TAS1R1TAS1R2HRH2HRH1
SCHEMBL4749430 0.82 KIF11 (0.35) TAS1R3TAS1R1TAS1R2HRH2HRH1
SCHEMBL4020351 0.82 ESR1 (0.34) CARM1PRMT6TAS1R3TAS1R1TAS1R2

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