SCHEMBL9455308

SCHEMBL9455308

OC1(c2ccc(F)cc2)CCN(CC2CN(c3ccccc3)c3ccccc3S2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.45
OPRL1 P41146 3/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
DRD2 P14416 7/20 0.41
CCR1 P32246 2/20 0.41
DRD3 P35462 3/20 0.41
DRD4 P21917 1/20 0.41
LMNA P02545 1/20 0.39

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
SCHEMBL9455237 0.86 SIGMAR1 (0.48) SIGMAR1DRD2DRD3LMNA
SCHEMBL9455294 0.79 SIGMAR1 (0.59) SIGMAR1DRD2
SCHEMBL9455321 0.76 SIGMAR1 (0.63) SIGMAR1
SCHEMBL9677788 0.74 SIGMAR1 (0.77) SIGMAR1
SCHEMBL9455243 0.73 OPRL1 (0.59) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL9455252 0.72 SIGMAR1 (0.58) SIGMAR1DRD2DRD3LMNA
SCHEMBL9455848 0.72 OPRM1 (0.54) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL9455013 0.72 SIGMAR1 (0.54) SIGMAR1OPRL1OPRM1DRD2DRD4
SCHEMBL9455312 0.72 OPRM1 (0.43) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL9455290 0.71 SIGMAR1 (0.62) SIGMAR1

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