SCHEMBL4020351

SCHEMBL4020351

CNCCN1C[C@H](C(=O)c2cccc(O)c2)[C@H](c2cccc(F)c2C)[C@@H](C(=O)c2cccc(C(F)(F)F)c2F)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
CARM1 Q86X55 6/20 0.33
PRMT6 Q96LA8 6/20 0.33
CTSS P25774 1/20 0.32
CNR2 P34972 4/20 0.32
CNR1 P21554 3/20 0.32
KAT6A Q92794 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
P2RX7 Q99572 2/20 0.31
CACNA1S Q13698 2/20 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
SCHEMBL4029054 0.90 KDM2B (0.33) CARM1PRMT6TAS1R3TAS1R1TAS1R2
SCHEMBL4022484 0.90 CARM1 (0.32) ESR1CARM1PRMT6KAT6ATAS1R3
SCHEMBL4029451 0.89 CARM1 (0.37) CARM1PRMT6
SCHEMBL4024736 0.84 DRD3 (0.34) CARM1PRMT6
SCHEMBL4021552 0.84 DRD3 (0.36) ESR1
SCHEMBL4019347 0.84 MEN1 (0.33) CARM1PRMT6
SCHEMBL4019668 0.83 HRH2 (0.34) TAS1R3TAS1R1TAS1R2
SCHEMBL4024826 0.82 GAA (0.36) CARM1PRMT6
SCHEMBL4028177 0.82 CARM1 (0.35) CARM1PRMT6TAS1R3TAS1R1TAS1R2
SCHEMBL4029269 0.81 KDM2B (0.35) TAS1R3TAS1R1TAS1R2

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