SCHEMBL3379796

SCHEMBL3379796

CCOc1ccc(-c2nc(N3CCC(F)CC3)nc3c2CCNCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.47
HTR2C P28335 14/20 0.47
HTR2B P41595 10/20 0.47
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2341735 0.89 HTR2C (0.60) HTR2AHTR2CHTR2BKMT2AHSD17B10
SCHEMBL2338980 0.85 HTR2C (0.58) HTR2AHTR2CHTR2BHSD17B10KDM4E
SCHEMBL2343409 0.83 HTR2C (0.57) HTR2AHTR2CHTR2BKMT2AKDM4E
SCHEMBL2339041 0.78 HTR2C (0.46) HTR2AHTR2CHTR2BKMT2AKDM4E
SCHEMBL2336470 0.78 HTR2C (0.43) HTR2AHTR2CHTR2BMAPTKMT2A
SCHEMBL12449410 0.73 HTR2C (0.41) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL12448467 0.73 HTR2C (0.40) HTR2AHTR2CHTR2BMAPTKDM4E
SCHEMBL2339714 0.72 HTR2C (0.58) HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL2340772 0.71 HTR2C (0.60) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL12449411 0.71 HTR2C (0.38) HTR2AHTR2CHTR2BKMT2AKDM4E

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
WO-2010053825-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-14 WO claimed