SCHEMBL9529266

SCHEMBL9529266

Clc1cccc(N2CCN(CC3CN(c4ccccc4)c4ccccc4O3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HRH1 P35367 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
GRM2 Q14416 1/20 0.48
KCNH2 Q12809 1/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR1A P08908 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR7 P34969 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL9530044 0.88 ABCB1 (0.49) DRD2DRD4SIGMAR1HTR1AMAPT
Hydrochloric Acid SCHEMBL10368330 0.87 ABCB1 (0.48) DRD2DRD4SIGMAR1HTR1AMAPT
SCHEMBL9696810 0.80 ADRA2A (0.59) SIGMAR1HTR1A
SCHEMBL9455117 0.79 CASR (0.45) DRD2DRD4HTR2AHRH1SIGMAR1
SCHEMBL9530260 0.79 SIGMAR1 (0.53) DRD2DRD4SIGMAR1GRM2HTR1A
SCHEMBL9579441 0.78 KCNH2 (0.60) DRD2DRD4HTR2AHTR2CHRH1
SCHEMBL9529716 0.77 KCNH2 (0.50) DRD2DRD4HTR2AHTR2CKCNH2
SCHEMBL9455118 0.77 ADRA2A (0.70) DRD2DRD4HTR1A
SCHEMBL9530828 0.76 KDM4E (0.45) DRD2DRD4SIGMAR1HTR1ALMNA
Hydrochloric Acid SCHEMBL9455133 0.75 SIGMAR1 (0.58) DRD4SIGMAR1

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