SCHEMBL10621069

SCHEMBL10621069

OCC(c1ccccc1)N1CCc2sccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.45
CYP2C19 P33261 3/20 0.45
ABCB11 O95342 3/20 0.45
DRD1 P21728 3/20 0.45
ADRA2A P08913 2/20 0.45
CYP2B6 P20813 2/20 0.45
OPRM1 P35372 2/20 0.45
OPRK1 P41145 2/20 0.45
HTR2B P41595 2/20 0.45
KCNH2 Q12809 2/20 0.45
THRB P10828 1/20 0.45
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
P2RY12 Q9H244 1/20 0.45
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL16300086 0.83 CYP2C19 (0.51) CYP2C19ABCB11DRD1ADRA2ACYP2B6
SCHEMBL2720302 0.82 ABCB11 (0.60) CYP2C19ABCB11DRD1ADRA2ACYP2B6
SCHEMBL10625243 0.81 DRD1 (0.50) OPRL1CYP2C19ABCB11DRD1ADRA2A
SCHEMBL6376935 0.79 ABCB11 (0.57) CYP2C19ABCB11DRD1ADRA2ACYP2B6
SCHEMBL28404328 0.79 ABCB11 (0.57) CYP2C19ABCB11DRD1ADRA2ACYP2B6
SCHEMBL10620258 0.78 MC4R (0.54) OPRL1CYP2C19ABCB11DRD1ADRA2A
SCHEMBL12723103 0.77 DRD1 (0.44) CYP2C19ABCB11DRD1ADRA2ACYP2B6
SCHEMBL10625272 0.77 ADRA2A (0.46) CYP2C19ABCB11DRD1ADRA2ACYP2B6
Hydrochloric Acid SCHEMBL11704970 0.76 ADRA2A (0.46) CYP2C19ABCB11DRD1ADRA2ACYP2B6
SCHEMBL18845656 0.76 ABCB11 (0.57) CYP2C19ABCB11DRD1ADRA2ACYP2B6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4749692-A COMBINATION OF SULFINPYRAZONE AND PYRIDINE DERIVATIVE SANOFI, S.A. (FR) 1988-06-07 US disclosed
US-4537894-A ADMINISTERING SULFINPYRAZONE AND PYRIDINE DERIVATIVE SANOFI, S.A. (FR) 1985-08-27 US disclosed
US-4464377-A SYNERGISTIS BETA-ADRENERGIC BLOCKERS AND TICLOPIDINE SANOFI-SYNTHELABO (FR) 1984-08-07 US disclosed