SCHEMBL3345900

SCHEMBL3345900

O=C(NCCc1ccccc1F)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)nc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.58
HDAC4 P56524 1/20 0.41
HIF1A Q16665 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MC4R P32245 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3348194 0.87 KCNH2 (0.63) KCNH2HDAC4MC4R
SCHEMBL3415193 0.84 KCNH2 (0.65) KCNH2MC4R
SCHEMBL3346412 0.81 CNR1 (0.53) KCNH2KDM4EHSD17B10MC4R
SCHEMBL3350871 0.80 KCNH2 (0.57) KCNH2HIF1AKDM4EMC4RLMNA
SCHEMBL22179085 0.79 MC4R (0.58) HIF1AKDM4EHSD17B10MC4RLMNA
SCHEMBL3346268 0.78 KCNH2 (0.55) KCNH2HDAC4MC4R
SCHEMBL3345898 0.78 KCNH2 (0.54) KCNH2HDAC4TRPV1
Hydrochloric Acid SCHEMBL22160560 0.77 MC4R (0.57) HIF1AKDM4EHSD17B10MC4RLMNA
SCHEMBL3346435 0.75 KCNH2 (0.58) KCNH2MC4R
SCHEMBL3348192 0.74 KCNH2 (0.57) KCNH2HDAC4

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
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO claimed