SCHEMBL4023645

SCHEMBL4023645

Cc1c(F)cccc1C1[C@@H](C(=O)c2ccccc2Cl)CN(CCO)C[C@@H]1C(=O)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A1 P30531 2/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
MC4R P32245 1/20 0.36
AGER Q15109 1/20 0.35
F10 P00742 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4022304 0.91 TAS1R3 (0.39) MEN1KMT2ASLC6A1TAS1R3TAS1R1
SCHEMBL4027984 0.88 TAS1R3 (0.37) MEN1KMT2APOLBTAS1R3TAS1R1
SCHEMBL4019444 0.88 MC4R (0.35) KDM2BMEN1KMT2AHSD17B10POLB
SCHEMBL4025103 0.86 KDM2B (0.41) KDM2BMEN1KMT2ASLC6A1KDM4E
SCHEMBL4019728 0.85 TAS1R3 (0.36) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL4022598 0.85 MEN1 (0.35) KDM2BMEN1KMT2AHSD17B10POLB
SCHEMBL4028155 0.82 KMT2A (0.34) KDM2BMEN1KMT2ASLC6A1TAS1R3
SCHEMBL4749432 0.82 CYP2D6 (0.34) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL4027216 0.81 KMT2A (0.41) KDM2BMEN1KMT2AMAPK1MC4R
SCHEMBL4020327 0.81 CPS1 (0.39) MEN1KMT2APOLBMAPK1KDM4E

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