SCHEMBL11232129

SCHEMBL11232129

c1ccc2c(c1)CC(CCCC1CCNCC1)C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
SLC6A4 P31645 4/20 0.48
GBA1 P04062 2/20 0.47
IDO1 P14902 1/20 0.44
KDM1A O60341 4/20 0.42
KDM1B Q8NB78 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
ACHE P22303 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL11231387 0.92 GBA1 (0.50) NAMPTSLC6A4GBA1IDO1KDM1A
Hydrochloric Acid SCHEMBL11232679 0.91 IDO1 (0.50) NAMPTSLC6A4GBA1IDO1KDM1A
SCHEMBL9636847 0.81 GBA1 (0.50) SLC6A4GBA1KDM1AKDM1BMAOA
SCHEMBL28259865 0.78 NAMPT (0.41) NAMPTSLC6A4GBA1KDM1AKDM1B
SCHEMBL11232133 0.77 BCHE (0.48) NAMPTSLC6A4
SCHEMBL237382 0.77 ITGB3 (0.47) NAMPTSLC6A4GBA1HRH3
Hydrochloric Acid SCHEMBL11229034 0.76 BCHE (0.47) NAMPTSLC6A4KDM1AKDM1B
Hydrochloric Acid SCHEMBL10840761 0.75 ITGB3 (0.46) NAMPTSLC6A4GBA1HRH3
SCHEMBL8097693 0.75 ITGB3 (0.46) NAMPTSLC6A4GBA1HRH3
SCHEMBL82734 0.74 GBA1 (0.61) SLC6A4GBA1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4357337-A PIPERIDINYLALKYL DERIVATIVES PHARMINDUSTRIE (FR) 1982-11-02 US disclosed