SCHEMBL30002160

SCHEMBL30002160

Clc1cnc(N2CCC(CCCOc3ccc(Br)cn3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.48
KCNH2 Q12809 8/20 0.48
CHRM4 P08173 1/20 0.40
GRM2 Q14416 2/20 0.38
GRM3 Q14832 2/20 0.38
CHRM2 P08172 3/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 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
SCHEMBL27086549 1.00 GPR119 (0.48) GPR119KCNH2CHRM4GRM2GRM3
SCHEMBL27086477 0.81 GPR119 (0.57) GPR119KCNH2CHRM4CHRM2CHRM1
SCHEMBL3425233 0.80 HRH4 (0.42) GPR119
Hydrochloric Acid SCHEMBL27086736 0.80 GPR119 (0.56) GPR119KCNH2CHRM4CHRM2CHRM1
SCHEMBL24437526 0.79 GPR119 (0.48) GPR119KCNH2GRM2CHRM2CHRM1
SCHEMBL3424759 0.77 HRH4 (0.46)
SCHEMBL121187 0.77 GPR119 (0.49) GPR119KCNH2CHRM2CHRM1CHRM3
SCHEMBL9085482 0.76 NPC1 (0.38) GPR119CYP2D6
SCHEMBL30001428 0.75 GPR119 (0.52) GPR119KCNH2CHRM2CHRM1CHRM3
SCHEMBL1296739 0.75 GPR119 (0.49) GPR119KCNH2CHRM2CHRM1CHRM3

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-2022216709-A1 GPR119 AGONISTS KALLYOPE, INC. (US) 2022-10-13 WO disclosed