SCHEMBL9053460

SCHEMBL9053460

c1ccc(C(=C2CCN(CCCc3nnn[nH]3)CC2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
OPRD1 P41143 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
SETD7 Q8WTS6 1/20 0.44
SIGMAR1 Q99720 2/20 0.40
HTR7 P34969 2/20 0.39
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
DRD4 P21917 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
HTR1A P08908 1/20 0.37
HRH1 P35367 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9053666 0.93 OPRM1 (0.43) P2RX7OPRD1OPRM1OPRK1SETD7
SCHEMBL9054632 0.90 OPRM1 (0.43) P2RX7OPRD1OPRM1OPRK1SETD7
SCHEMBL9053981 0.88 KDM4E (0.42) P2RX7OPRD1OPRM1OPRK1SETD7
SCHEMBL9054400 0.82 DRD2 (0.42) OPRD1OPRM1OPRK1SIGMAR1HTR7
SCHEMBL9053324 0.75 P2RX7 (0.55) P2RX7OPRM1OPRK1DRD2DRD3
SCHEMBL9052502 0.74 DRD2 (0.54) P2RX7DRD2DRD3DRD4
SCHEMBL13904314 0.73 SIGMAR1 (0.59) P2RX7OPRD1OPRM1OPRK1SETD7
SCHEMBL9053843 0.73 SETD7 (0.57) OPRM1SETD7SIGMAR1HTR7DRD2
SCHEMBL9249824 0.73 SETD7 (0.57) P2RX7OPRD1OPRM1OPRK1SETD7
SCHEMBL9253379 0.73 SETD7 (0.57) P2RX7OPRD1OPRM1OPRK1SETD7

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