SCHEMBL4022073

SCHEMBL4022073

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCO)C[C@@H]1C(=O)c1c(F)cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 5/20 0.36
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
MGLL Q99685 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MC4R P32245 1/20 0.33
KDM2B Q8NHM5 1/20 0.32

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
SCHEMBL4020633 0.92 MEN1 (0.35) MEN1KMT2AMAPK1MGLLMC4R
SCHEMBL4024826 0.91 GAA (0.36) MEN1KMT2AMAPK1GAAPOLB
SCHEMBL4022598 0.90 MEN1 (0.35) MEN1KMT2AMAPK1POLBMAPT
SCHEMBL4751303 0.88 KDM2B (0.33) MEN1KMT2AMAPK1MGLLMC4R
SCHEMBL4028155 0.86 KMT2A (0.34) MEN1KMT2AMGLLKDM2B
SCHEMBL4019668 0.86 HRH2 (0.34) MEN1KMT2AMGLLMC4RKDM2B
SCHEMBL4025770 0.85 KDM2B (0.41) MEN1KMT2AMGLLKDM2B
SCHEMBL4029269 0.84 KDM2B (0.35) MEN1KMT2AMGLLKDM2B
SCHEMBL4020144 0.84 DPP4 (0.38) MAPTMGLLMC4RKDM2B
SCHEMBL4024566 0.84 EED (0.33) MEN1KMT2AKDM2B

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