SCHEMBL15967359

SCHEMBL15967359

O=C(NCC1C2CNCC21)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
P2RX7 Q99572 1/20 0.52
KCNH2 Q12809 1/20 0.52
CACNA1I Q9P0X4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CACNA1H O95180 1/20 0.47
TP53 P04637 1/20 0.47
GRM5 P41594 1/20 0.47
NAMPT P43490 1/20 0.46

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 SCHEMBL708457 0.99 OPRM1 (0.53) OPRM1OPRD1OPRK1P2RX7KCNH2
SCHEMBL3776499 0.86 CACNA1H (0.49) OPRM1OPRD1OPRK1P2RX7KCNH2
SCHEMBL5510482 0.85 CACNA1H (0.61) P2RX7KCNH2CACNA1IRAB9ACACNA1H
SCHEMBL708595 0.82 MEN1 (0.52)
SCHEMBL5506769 0.82 HPGD (0.54) OPRM1OPRK1KCNH2CACNA1INPC1
SCHEMBL15967240 0.81 KCNH2 (0.47) OPRM1OPRK1KCNH2CACNA1ICACNA1H
Hydrochloric Acid SCHEMBL709864 0.80 KCNH2 (0.46) OPRM1OPRK1KCNH2CACNA1ICACNA1H
SCHEMBL5513102 0.80 POLB (0.56) TP53NAMPT
Hydrochloric Acid SCHEMBL709535 0.79 POLB (0.55) TP53NAMPT
SCHEMBL15967030 0.78 EPHX2 (0.53) P2RX7NPC1RAB9A

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-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed