SCHEMBL4022127

SCHEMBL4022127

CNCCN1C[C@H](C(=O)c2cccc(OC)c2)[C@H](c2cccc(F)c2C)[C@@H](C(=O)c2ccccc2F)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.39
DRD4 P21917 7/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MCHR1 Q99705 2/20 0.38
DRD2 P14416 3/20 0.37
CCR3 P51677 1/20 0.37
THRB P10828 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KAT6A Q92794 1/20 0.36

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
SCHEMBL13721312 1.00 KDM2B (0.39) KDM2BDRD4HTTKMT2ACYP2C9
SCHEMBL4023627 1.00 KDM2B (0.39) KDM2BDRD4HTTKMT2ACYP2C9
SCHEMBL4023629 1.00 KDM2B (0.39) KDM2BDRD4HTTKMT2ACYP2C9
SCHEMBL4024586 0.92 DRD4 (0.38) KDM2BDRD4KMT2ACYP2C9CYP2C19
SCHEMBL4019477 0.92 DRD4 (0.41) KDM2BDRD4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4021684 0.91 KDM2B (0.38) KDM2BDRD4HTTKMT2ACYP2C9
SCHEMBL4026436 0.90 KDM2B (0.42) KDM2BHTTKMT2ARAB9ASMN1; SMN2
SCHEMBL4751954 0.90 DRD4 (0.44) KDM2BDRD4HTTKMT2ADRD2
SCHEMBL4025349 0.89 DRD4 (0.43) KDM2BDRD4HTTKMT2ADRD2
SCHEMBL4022391 0.85 KDM2B (0.37) KDM2BDRD4HTTKMT2ARAB9A

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