SCHEMBL9455201

SCHEMBL9455201

CC1(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CN(c2ccccc2)c2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.46
OPRL1 P41146 11/20 0.46
OPRM1 P35372 9/20 0.46
OPRD1 P41143 4/20 0.46
OPRK1 P41145 4/20 0.45
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD11B1 P28845 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
SCHEMBL9455039 0.94 OPRL1 (0.49) DRD4OPRL1OPRM1OPRD1OPRK1
SCHEMBL9455234 0.91 OPRL1 (0.46) DRD4OPRL1OPRM1OPRD1OPRK1
SCHEMBL9455311 0.86 OPRL1 (0.49) DRD4OPRL1OPRM1OPRD1OPRK1
SCHEMBL9455304 0.82 OPRM1 (0.43) DRD4OPRL1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL9455139 0.79 CCR3 (0.43) DRD4OPRL1OPRM1OPRD1OPRK1
SCHEMBL9455323 0.79 OPRM1 (0.41) DRD4OPRL1OPRM1OPRD1OPRK1
SCHEMBL9455261 0.75 DRD2 (0.41) DRD4OPRM1DRD2DRD3LMNA
SCHEMBL9455193 0.75 SIGMAR1 (0.56) DRD4OPRL1OPRM1OPRD1OPRK1
SCHEMBL9455021 0.74 CCR3 (0.39) DRD4OPRL1OPRM1OPRD1OPRK1
SCHEMBL9530054 0.72 SIGMAR1 (0.39) DRD4MAPTSMN1; SMN2DRD2LMNA

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