SCHEMBL9455013

SCHEMBL9455013

OC1(c2ccc(Cl)cc2)CCN(CC2CN(c3ccccc3)c3ccc(F)cc3O2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.54
CCR3 P51677 1/20 0.45
OPRM1 P35372 2/20 0.44
OPRL1 P41146 2/20 0.44
DRD4 P21917 1/20 0.43
LMNA P02545 1/20 0.43
DRD2 P14416 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
SCHEMBL9455310 0.94 SIGMAR1 (0.57) SIGMAR1LMNADRD2
SCHEMBL9455252 0.90 SIGMAR1 (0.58) SIGMAR1LMNADRD2
SCHEMBL9455290 0.90 SIGMAR1 (0.62) SIGMAR1
Hydrochloric Acid SCHEMBL9455133 0.89 SIGMAR1 (0.58) SIGMAR1CCR3OPRM1OPRL1DRD4
SCHEMBL9455294 0.88 SIGMAR1 (0.59) SIGMAR1DRD2
SCHEMBL9455321 0.85 SIGMAR1 (0.63) SIGMAR1
SCHEMBL9455224 0.84 OPRL1 (0.52) SIGMAR1OPRM1OPRL1DRD4DRD2
SCHEMBL9676151 0.81 SIGMAR1 (0.77) SIGMAR1
SCHEMBL9455306 0.80 OPRL1 (0.55) SIGMAR1OPRM1OPRL1DRD4
SCHEMBL9677462 0.79 SIGMAR1 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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