SCHEMBL9455306

SCHEMBL9455306

OC1(c2cccc(C(F)(F)F)c2)CCN(CC2CN(c3ccc(F)cc3)c3ccc(F)cc3O2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.55
SIGMAR1 Q99720 12/20 0.53
OPRM1 P35372 3/20 0.52
OPRK1 P41145 1/20 0.52
ABCB11 O95342 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49
EBP Q15125 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
OPRD1 P41143 1/20 0.46
DRD4 P21917 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
SCHEMBL9455224 0.96 OPRL1 (0.52) OPRL1SIGMAR1OPRM1OPRK1ABCB11
SCHEMBL9455030 0.94 SIGMAR1 (0.56) OPRL1SIGMAR1OPRM1OPRK1ABCB11
SCHEMBL9455193 0.88 SIGMAR1 (0.56) OPRL1SIGMAR1OPRM1OPRK1SMN1; SMN2
SCHEMBL9455290 0.87 SIGMAR1 (0.62) SIGMAR1
SCHEMBL9677190 0.87 SIGMAR1 (0.68) OPRL1SIGMAR1OPRM1OPRK1ABCB11
SCHEMBL9455310 0.83 SIGMAR1 (0.57) SIGMAR1
SCHEMBL9455321 0.80 SIGMAR1 (0.63) SIGMAR1
SCHEMBL9455013 0.80 SIGMAR1 (0.54) OPRL1SIGMAR1OPRM1DRD4
SCHEMBL9677816 0.79 SIGMAR1 (0.67) OPRL1SIGMAR1OPRM1OPRK1OPRD1
SCHEMBL9678835 0.79 SIGMAR1 (0.67) OPRL1SIGMAR1OPRM1OPRK1

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 6 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 claimed
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