SCHEMBL9636847

SCHEMBL9636847

c1ccc2c(c1)CC(CC1CCNCC1)C2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
ADRA2A P08913 1/20 0.46
KDM1A O60341 5/20 0.44
KDM1B Q8NB78 1/20 0.44
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR2A P28223 1/20 0.41
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SLC6A2 P23975 1/20 0.40
HTR3A P46098 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
CYP19A1 P11511 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 0.84 GBA1 (0.50) GBA1KDM1AKDM1BHTR2CSLC6A4
Hydrochloric Acid SCHEMBL11232679 0.82 IDO1 (0.50) GBA1KDM1AKDM1BHTR2CSLC6A4
SCHEMBL9635416 0.81 MTNR1A (0.49) GBA1KDM1AKDM1BHTR2CSLC6A4
SCHEMBL11232129 0.81 NAMPT (0.49) GBA1KDM1AKDM1BHTR2CSLC6A4
SCHEMBL9635403 0.80 SIGMAR1 (0.47) GBA1KDM1AKDM1BSIGMAR1KCNH2
SCHEMBL5435617 0.77 ACHE (0.68) SIGMAR1CYP19A1
SCHEMBL30861080 0.77 ACHE (0.68) SIGMAR1CYP19A1
SCHEMBL331996 0.75 GBA1 (0.42) GBA1
SCHEMBL11222695 0.73 KDM1A (0.46) GBA1KDM1AKDM1BHTR2CSLC6A4
SCHEMBL8243145 0.73 BCHE (0.53) HTR2CHTR2A

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-5114949-A Treating disorders associated with 5HT uptake RHONE-POULENC SANTE (FR) 1992-05-19 US disclosed