SCHEMBL9048696

SCHEMBL9048696

N#CCCCN1CCC(OC(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.61
DRD3 P35462 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2D6 P10635 2/20 0.53
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
HTT P42858 2/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
LMNA P02545 2/20 0.52
GMNN O75496 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL9047533 0.93 BCHE (0.59) BCHEDRD3CYP2D6DRD2DRD4
Hydrochloric Acid SCHEMBL9353207 0.81 BCHE (0.70) BCHEDRD3MEN1MAPTKMT2A
SCHEMBL9671704 0.81 BCHE (0.70) BCHEDRD3MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL9673187 0.80 BCHE (0.68) BCHEDRD3MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL9673860 0.80 BCHE (0.68) BCHEDRD3MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL9671535 0.80 BCHE (0.68) BCHEDRD3MEN1MAPTKMT2A
SCHEMBL9563253 0.79 BCHE (0.59) BCHEDRD3MEN1MAPTKMT2A
SCHEMBL1151611 0.79 DRD3 (0.56) BCHEDRD3MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL9353181 0.79 BCHE (0.64) BCHEDRD3MEN1MAPTKMT2A
SCHEMBL4184963 0.79 ALDH1A1 (0.56) BCHEDRD3MEN1MAPTKMT2A

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