SCHEMBL14775587

SCHEMBL14775587

ClCC1CC(Cl)CN1c1ccncn1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SORD Q00796 1/20 0.34
GRM1 Q13255 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
CHRM1 P11229 1/20 0.32
AKT1 P31749 1/20 0.32
P2RX7 Q99572 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
CHRM4 P08173 1/20 0.31
RPS6KA5 O75582 1/20 0.31
CNR2 P34972 1/20 0.30

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
Hydrochloric Acid SCHEMBL27675564 0.73 GPBAR1 (0.37) SORDGPBAR1GPR119
SCHEMBL9893053 0.73 SORD (0.37) SORDGRM1GPBAR1CHRM1GPR119
SCHEMBL16480435 0.67 GRM1 (0.43) SORDGRM1GPR119CHRM4RPS6KA5
SCHEMBL9108658 0.67 GAA (0.45) SORDGRM1CHRM1GPR119
SCHEMBL28187889 0.66 GPR119 (0.47) SORDGRM1GPBAR1CHRM1AKT1
Hydrochloric Acid SCHEMBL27675360 0.66 SORD (0.35) SORDGRM1GPBAR1AKT1GPR119
SCHEMBL29200857 0.66 GRM1 (0.37) SORDGRM1GPBAR1CHRM1AKT1
SCHEMBL30475254 0.66 GRM1 (0.37) SORDGRM1GPBAR1CHRM1AKT1
SCHEMBL28004627 0.65 GPR119 (0.52) SORDGRM1GPBAR1CHRM1AKT1
Hydrochloric Acid SCHEMBL27675481 0.65 GPBAR1 (0.44) SORDGRM1GPBAR1AKT1GPR119

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
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed