SCHEMBL9053666

SCHEMBL9053666

Clc1ccc(C(=C2CCN(CCCc3nnn[nH]3)CC2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
P2RX7 Q99572 1/20 0.43
SIGMAR1 Q99720 1/20 0.40
HTR1A P08908 5/20 0.40
HTR7 P34969 4/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 3/20 0.40
HRH1 P35367 2/20 0.40
HTR2B P41595 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
SETD7 Q8WTS6 1/20 0.39
PARP1 P09874 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DRD4 P21917 3/20 0.37

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
SCHEMBL9054632 0.97 OPRM1 (0.43) OPRM1OPRD1OPRK1P2RX7SIGMAR1
SCHEMBL9053460 0.93 P2RX7 (0.47) OPRM1OPRD1OPRK1P2RX7SIGMAR1
SCHEMBL9053981 0.82 KDM4E (0.42) OPRM1OPRD1OPRK1P2RX7SIGMAR1
SCHEMBL9054400 0.79 DRD2 (0.42) OPRM1OPRD1OPRK1SIGMAR1HTR1A
SCHEMBL8316876 0.78 OPRD1 (0.53) OPRM1OPRD1OPRK1P2RX7SIGMAR1
SCHEMBL9054788 0.76 DRD3 (0.55) OPRK1P2RX7HTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL9055462 0.75 DRD3 (0.54) OPRK1P2RX7HTR1AHTR7DRD2
SCHEMBL9053675 0.73 PARP1 (0.38) SIGMAR1HTR1AHTR7DRD2DRD3
SCHEMBL9054797 0.73 HTR7 (0.47) SIGMAR1HTR7DRD2DRD3KMT2A
Hydrochloric Acid SCHEMBL9055470 0.72 HTR7 (0.46) SIGMAR1HTR7DRD2DRD3KMT2A

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