SCHEMBL9528058

SCHEMBL9528058

Cc1csc(C2(O)CCNCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
DRD2 P14416 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
DAO P14920 1/20 0.32
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 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 SCHEMBL9528146 0.98 OPRM1 (0.38) OPRM1DRD2SIGMAR1HCAR3HCAR2
SCHEMBL5696483 0.70 DRD2 (0.36) OPRM1DRD2SIGMAR1
SCHEMBL2273415 0.69 OPRM1 (0.64) OPRM1DRD2SIGMAR1GABRDGABRA1
SCHEMBL5460348 0.69 DRD2 (0.42) OPRM1DRD2SIGMAR1HCAR3HCAR2
SCHEMBL1401191 0.67 OPRM1 (0.50) OPRM1DRD2SIGMAR1
SCHEMBL613058 0.66 DRD2 (0.66) OPRM1DRD2SIGMAR1GABRDGABRA1
SCHEMBL1266110 0.64 SIGMAR1 (0.46) OPRM1DRD2SIGMAR1GABRDGABRA1
SCHEMBL29689237 0.64 SIGMAR1 (0.46) OPRM1DRD2SIGMAR1GABRDGABRA1
SCHEMBL20135156 0.64 SIGMAR1 (0.46) OPRM1DRD2SIGMAR1GABRDGABRA1
SCHEMBL2270948 0.64 OPRM1 (0.52) OPRM1DRD2SIGMAR1GABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556342-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-08-25 EP disclosed
WO-1992007854-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET KV. (HU) 1992-05-14 WO disclosed