SCHEMBL9455290

SCHEMBL9455290

OC1(c2ccc(F)cc2)CCN(CC2CN(c3ccc(F)cc3)c3ccc(F)cc3O2)CC1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.62

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 0.95 SIGMAR1 (0.57) SIGMAR1
SCHEMBL9455321 0.91 SIGMAR1 (0.63) SIGMAR1
SCHEMBL9455013 0.90 SIGMAR1 (0.54) SIGMAR1
SCHEMBL9455294 0.88 SIGMAR1 (0.59) SIGMAR1
SCHEMBL9455306 0.87 OPRL1 (0.55) SIGMAR1
SCHEMBL9455252 0.86 SIGMAR1 (0.58) SIGMAR1
SCHEMBL9676199 0.83 SIGMAR1 (0.85) SIGMAR1
SCHEMBL9455224 0.83 OPRL1 (0.52) SIGMAR1
SCHEMBL9455030 0.80 SIGMAR1 (0.56) SIGMAR1
SCHEMBL9677462 0.78 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 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