SCHEMBL9055677

SCHEMBL9055677

Clc1ccc(C(OC2CCN(CCCc3nnn[nH]3)CC2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.60
BCHE P06276 5/20 0.54
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2D6 P10635 2/20 0.46
DRD3 P35462 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
HTT P42858 1/20 0.46
PARP14 Q460N5 2/20 0.46
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
PMP22 Q01453 1/20 0.45

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
SCHEMBL9053846 0.97 HPGDS (0.56) HPGDSBCHEMEN1MAPTKMT2A
SCHEMBL347141 0.94 HPGDS (0.67) HPGDSBCHEMAPTCYP2D6DRD3
SCHEMBL21504949 0.84 HPGDS (0.53) HPGDSBCHEMAPTCYP2D6DRD3
SCHEMBL9054788 0.81 DRD3 (0.55) CYP2D6DRD3TSHRDRD2DRD4
Hydrochloric Acid SCHEMBL9055462 0.81 DRD3 (0.54) MEN1KMT2ACYP2D6DRD3TSHR
SCHEMBL9048696 0.77 BCHE (0.61) HPGDSBCHEMEN1MAPTKMT2A
SCHEMBL9055689 0.76 CARM1 (0.48) HPGDSBCHEDRD3DRD2DRD4
SCHEMBL21496196 0.75 HPGDS (1.00) HPGDSBCHECYP2D6DRD3DRD2
SCHEMBL3910868 0.75 HPGDS (0.43) HPGDSCYP2D6DRD3CHRM2HTR1A
SCHEMBL9671704 0.74 BCHE (0.70) HPGDSBCHEMEN1MAPTKMT2A

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