SCHEMBL9053971

SCHEMBL9053971

C1=Cc2ccccc2C(=C2CCN(Cc3nnn[nH]3)CC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 7/20 0.56
CHRM2 P08172 2/20 0.49
HTR1A P08908 2/20 0.49
ADRA2A P08913 2/20 0.49
CYP2D6 P10635 2/20 0.49
CHRM1 P11229 2/20 0.49
DRD1 P21728 2/20 0.49
TBXA2R P21731 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
CYP2C19 P33261 2/20 0.49
ADRA1A P35348 2/20 0.49
OPRM1 P35372 2/20 0.49
DRD3 P35462 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KCNH2 Q12809 2/20 0.49
HRH1 P35367 2/20 0.49
ABCB11 O95342 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL9053843 0.86 SETD7 (0.57) SETD7CHRM2HTR1AADRA2ACYP2D6
SCHEMBL9053582 0.85 SETD7 (0.59) SETD7CHRM2HTR1AADRA2ACYP2D6
SCHEMBL9053127 0.84 SETD7 (0.61) SETD7CHRM2HTR1AADRA2ACYP2D6
SCHEMBL9035852 0.76 SETD7 (0.68) SETD7CHRM2HTR1AADRA2ACYP2D6
Hydrochloric Acid SCHEMBL7213868 0.74 SETD7 (0.66) SETD7CHRM2HTR1AADRA2ACYP2D6
SCHEMBL8797134 0.74 SETD7 (0.61) SETD7CHRM2HTR1AADRA2ACYP2D6
Hydrochloric Acid SCHEMBL7217786 0.73 SETD7 (0.59) SETD7CHRM2HTR1AADRA2ACYP2D6
SCHEMBL8797824 0.73 SETD7 (0.59) SETD7CHRM2HTR1AADRA2ACYP2D6
SCHEMBL9035418 0.72 SETD7 (0.67) SETD7CHRM2HTR1AADRA2ACYP2D6
SCHEMBL9034981 0.72 SETD7 (0.62) SETD7CHRM2HTR1AADRA2ACYP2D6

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-0706522-A1 TETRAZOLE DERIVATIVES HAVING ANTIHISTAMINIC AND ANTIALLERGIC ACTIVITY SUMITOMO METAL INDUSTRIES, LTD. (JP) 1996-04-17 EP disclosed
WO-1995001350-A1 TETRAZOLE DERIVATIVES HAVING ANTIHISTAMINIC AND ANTIALLERGIC ACTIVITY SUMITOMO METAL INDUSTRIES, LTD. (JP) 1995-01-12 WO disclosed