SCHEMBL9455250

SCHEMBL9455250

CC1(N2CCC(O)(c3ccc(F)cc3)CC2)CN(c2ccc(F)cc2)c2ccc(F)cc2S1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
SIGMAR1 Q99720 3/20 0.36
CYP2D6 P10635 2/20 0.34
DRD2 P14416 4/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PROKR1 Q8TCW9 1/20 0.32

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
SCHEMBL9455312 0.86 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL9455303 0.76 NR3C2 (0.43) AROPRM1OPRD1OPRK1OPRL1
SCHEMBL9455314 0.72 DRD2 (0.41) ARSIGMAR1DRD2DRD4DRD3
SCHEMBL9455237 0.71 SIGMAR1 (0.48) SIGMAR1DRD2DRD3SMN1; SMN2
SCHEMBL9455323 0.70 OPRM1 (0.41) AROPRM1OPRD1OPRK1OPRL1
SCHEMBL9455320 0.69 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL9455021 0.67 CCR3 (0.39) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL9455304 0.67 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL9455261 0.66 DRD2 (0.41) OPRM1SIGMAR1CYP2D6DRD2DRD4
SCHEMBL9455311 0.65 OPRL1 (0.49) OPRM1OPRD1OPRK1OPRL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359790-B1 1,4-BENZOXAZINE AND 1,4-BENZOTHIAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5229383-A Treating psychotic disorders FARMITALIA CARLO ERBA S.R.L. (IT) 1993-07-20 US disclosed
US-5084454-A Tranquilizers and antinausea drugs FARMITALIA CARLO ERBA S.R.L. (IT) 1992-01-28 US disclosed
EP-0359790-A1 1,4-BENZOXAZINE AND 1,4-BENZOTHIAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1990-03-28 EP disclosed
WO-1989007596-A1 NEW 1,4-BENZOXAZINE AND 1,4-BENZOTHIAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-08-24 WO disclosed