SCHEMBL9353293

SCHEMBL9353293

Fc1ccc(C(ON2CCCCC2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.45
SLC6A4 P31645 5/20 0.45
SLC6A2 P23975 2/20 0.44
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 3/20 0.43
KCNH2 Q12809 3/20 0.43
KCNA5 P22460 2/20 0.43
KCNE1 P15382 1/20 0.43
TSHR P16473 2/20 0.43
HIF1A Q16665 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL8938208 0.95 IDO1 (0.45) SLC6A3SLC6A4SLC6A2KCNH2MEN1
SCHEMBL1802065 0.89 CYP3A4 (0.52) SLC6A3SLC6A4SLC6A2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7654483 0.87 CYP3A4 (0.50) SLC6A3SLC6A4SLC6A2CYP1A2CYP3A4
SCHEMBL28042294 0.87 CYP2D6 (0.50) SLC6A3SLC6A4SLC6A2CYP1A2CYP3A4
Carbamic Acid SCHEMBL17460309 0.79 GAA (0.47) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL5859624 0.77 CYP1A2 (0.47) SLC6A3SLC6A4SLC6A2CYP1A2CYP3A4
SCHEMBL8938188 0.76 CHRNA7 (0.62) SLC6A3SLC6A4SLC6A2CYP1A2CYP3A4
SCHEMBL8938184 0.76 CHRNA7 (0.62) SLC6A3SLC6A4SLC6A2CYP1A2CYP3A4
SCHEMBL16226328 0.75 ACHE (0.63) SLC6A3SLC6A4SLC6A2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7440651 0.74 ACHE (0.61) SLC6A3SLC6A4SLC6A2CYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399414-B1 Piperidine derivative, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL (JP) 1994-09-21 EP disclosed
US-5153207-A Antihistamine and antiallergic agent HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-10-06 US disclosed
EP-0399414-A1 Piperidine derivative, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-28 EP disclosed