SCHEMBL14958962

SCHEMBL14958962

Cc1cnc(N2CCC(C3CCN(c4ccc(Cl)c(C#N)n4)CC3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.58
KCNH2 Q12809 5/20 0.58
SMO Q99835 4/20 0.40
KDM1A O60341 2/20 0.37
DGAT1 O75907 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
STAT6 P42226 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCD O00767 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
SCHEMBL3623664 0.91 GPR119 (0.58) GPR119KCNH2KDM4ENPC1ALDH1A1
SCHEMBL14958955 0.79 GPR119 (0.67) GPR119KCNH2SMOKDM1A
SCHEMBL3624959 0.79 GPR119 (0.61) GPR119KCNH2KDM1A
SCHEMBL14958961 0.78 GPR119 (0.60) GPR119KCNH2SMO
SCHEMBL14958958 0.75 GPR119 (0.69) GPR119KCNH2KDM1A
SCHEMBL3625685 0.74 AR (0.53) GPR119KCNH2
SCHEMBL3610688 0.74 GPR119 (0.83) GPR119KCNH2KDM1AKDM4ENPC1
SCHEMBL3611177 0.74 GPR119 (1.00) GPR119KCNH2KDM1A
SCHEMBL14958956 0.74 GPR119 (0.61) GPR119KCNH2KDM1A
SCHEMBL12874467 0.73 GPR119 (0.61) GPR119KCNH2SMOKDM4ENPC1

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-8445499-B2 Bipiperidinyl compounds, compositions, containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed