SCHEMBL5510482

SCHEMBL5510482

O=C(NCC1C2CNCC21)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.61
CACNA1I Q9P0X4 13/20 0.48
KCNH2 Q12809 11/20 0.48
P2RX7 Q99572 1/20 0.48
RAB9A P51151 1/20 0.47
FABP4 P15090 1/20 0.45
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
CACNA1G O43497 1/20 0.43
CHRM2 P08172 1/20 0.43
HRH1 P35367 1/20 0.43
HTR4 Q13639 1/20 0.43
CACNA1C Q13936 1/20 0.43

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
SCHEMBL15967359 0.85 OPRM1 (0.54) CACNA1HCACNA1IKCNH2P2RX7RAB9A
Hydrochloric Acid SCHEMBL708457 0.84 OPRM1 (0.53) CACNA1HCACNA1IKCNH2P2RX7RAB9A
SCHEMBL5506769 0.81 HPGD (0.54) CACNA1IKCNH2RAB9A
SCHEMBL15967240 0.80 KCNH2 (0.47) CACNA1HCACNA1IKCNH2
Hydrochloric Acid SCHEMBL709864 0.79 KCNH2 (0.46) CACNA1HCACNA1IKCNH2
SCHEMBL5509006 0.77 POLB (0.54) P2RX7RAB9A
SCHEMBL29364186 0.76 CACNA1H (1.00) CACNA1HCACNA1IKCNH2CACNA1GCHRM2
SCHEMBL20328320 0.76 CACNA1H (1.00) CACNA1HCACNA1IKCNH2CACNA1GCHRM2
SCHEMBL710113 0.74 KCNH2 (0.46) CACNA1HCACNA1IKCNH2
SCHEMBL3776499 0.73 CACNA1H (0.49) CACNA1HCACNA1IKCNH2P2RX7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP claimed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed