SCHEMBL9635463

SCHEMBL9635463

c1ccc2c(c1)CCC2CC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
GBA1 P04062 1/20 0.43
KDM1A O60341 2/20 0.43
KDM1B Q8NB78 1/20 0.43
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SLC6A4 P31645 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
IDO1 P14902 1/20 0.39
PDPK1 O15530 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
SCHEMBL11228929 0.89 MAOA (0.48) HTR6KDM1AKDM1BMTNR1AMTNR1B
SCHEMBL11228576 0.85 MTNR1A (0.48) HTR6GBA1KDM1AKDM1BMTNR1A
Hydrochloric Acid SCHEMBL11232682 0.84 MTNR1A (0.47) HTR6GBA1KDM1AKDM1BHTR2C
SCHEMBL11232133 0.83 BCHE (0.48) HTR6MTNR1AMTNR1BSLC6A4BCHE
Hydrochloric Acid SCHEMBL11229034 0.81 BCHE (0.47) HTR6KDM1AKDM1BMTNR1AMTNR1B
SCHEMBL4924943 0.79 HTR2C (0.54) HTR2CHTR2AHTR2B
SCHEMBL9635410 0.78 KDM1A (0.39) GBA1KDM1AKDM1BHTR2CSLC6A4
SCHEMBL11235378 0.78 KDM1A (0.43) KDM1AHTR2CHTR2AHTR2BSLC6A4
SCHEMBL11231388 0.78 HTR2C (0.52) KDM1AHTR2CHTR2AHTR2BSLC6A4
Hydrochloric Acid SCHEMBL11231689 0.77 KDM1A (0.43) KDM1AHTR2CHTR2AHTR2BSLC6A4

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
US-5114949-A Treating disorders associated with 5HT uptake RHONE-POULENC SANTE (FR) 1992-05-19 US disclosed
US-4357337-A PIPERIDINYLALKYL DERIVATIVES PHARMINDUSTRIE (FR) 1982-11-02 US disclosed