SCHEMBL9529274

SCHEMBL9529274

CC1(N2CCN(c3cccc(Cl)c3)CC2)CN(c2ccccc2)c2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD11B1 P28845 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL9530054 0.88 SIGMAR1 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2HSD11B1
SCHEMBL9530276 0.80 MAPT (0.45) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL9455127 0.79 DRD2 (0.46) ALDH1A1LMNAMAPTSIGMAR1MEN1
SCHEMBL9697283 0.78 KCNH2 (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9455139 0.75 CCR3 (0.43) LMNASMN1; SMN2HSD11B1SIGMAR1MEN1
SCHEMBL9530838 0.75 L3MBTL1 (0.46) ALDH1A1LMNAMAPTSIGMAR1
SCHEMBL9455326 0.72 L3MBTL1 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL9646111 0.70 ALDH1A1 (0.73) ALDH1A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL9529266 0.70 DRD2 (0.53) LMNAMAPTSIGMAR1MEN1KMT2A
SCHEMBL9455304 0.70 OPRM1 (0.43) LMNAMAPTHSD11B1SIGMAR1

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
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-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