SCHEMBL9530044

SCHEMBL9530044

c1ccc(N2CCN(CC3CN(c4ccccc4)c4ccccc4O3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.49
ADRA2A P08913 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
CASR P41180 1/20 0.46
DRD3 P35462 1/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45

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
Hydrochloric Acid SCHEMBL10368330 0.99 ABCB1 (0.48) ABCB1ADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL9455117 0.90 CASR (0.45) ADRA2AADRA2BADRA2CSIGMAR1HTR1A
SCHEMBL9530260 0.89 SIGMAR1 (0.53) ADRA2AADRA2BADRA2CSIGMAR1HTR1A
SCHEMBL9696810 0.89 ADRA2A (0.59) ABCB1ADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL9529266 0.88 DRD2 (0.53) SIGMAR1HTR1ADRD2DRD4MAPT
SCHEMBL9529716 0.85 KCNH2 (0.50) ADRA2AADRA2BADRA2CHTR1ADRD2
SCHEMBL9455118 0.85 ADRA2A (0.70) ADRA2AADRA2BADRA2CHTR1ADRD2
SCHEMBL9530828 0.84 KDM4E (0.45) ABCB1ADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL7937213 0.82 HTR1A (0.71) ADRA2AADRA2BADRA2CSIGMAR1HTR1A
SCHEMBL9529252 0.78 CASR (0.50) HTR1AADRA1DADRA1AADRA1BCASR

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 2 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