SCHEMBL20073096

SCHEMBL20073096

Cc1ccc2c(c1)CN(C)C2O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.49
SLC6A4 P31645 11/20 0.49
SLC6A3 Q01959 11/20 0.49
CYP2D6 P10635 2/20 0.44
SRD5A1 P18405 2/20 0.38
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL13863287 0.79 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6SRD5A1
SCHEMBL22297377 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3SRD5A1
SCHEMBL20910249 0.76 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3CYP2D6KIF11
SCHEMBL27283990 0.71 KDM4E (0.36) SLC6A2SLC6A4SLC6A3CYP2D6KDM4E
SCHEMBL20924139 0.71 GFRA3 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL19879991 0.70 PRF1 (0.32)
SCHEMBL21661808 0.69 MAOA (0.39) SLC6A4CYP2D6KDM4EALDH1A1GLA
SCHEMBL24865825 0.68 MALT1 (0.33)
SCHEMBL7489051 0.68 SRD5A1 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6SRD5A1
SCHEMBL18033538 0.68 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KIF11

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
WO-2024094819-A1 NEK7 DEGRADERS AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2024-05-10 WO disclosed
WO-2018071836-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-04-19 WO disclosed