SCHEMBL9528044

SCHEMBL9528044

Clc1cncc(N2CCN(CCCCN3CC4C5C=CC(C5)C4C3)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
HTR2C P28335 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DRD2 P14416 3/20 0.41
HRH1 P35367 3/20 0.41

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
Hydrochloric Acid SCHEMBL10470254 0.98 HTR2A (0.43) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL10763408 0.91 HTR2A (0.43) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL9529423 0.85 HTR1A (0.46) HTR2AHTR1ADRD2
SCHEMBL9529768 0.81 ALDH1A1 (0.53) HTR2AMEN1ALDH1A1HTR1AKMT2A
Hydrochloric Acid SCHEMBL9527324 0.80 ALDH1A1 (0.51) HTR2AMEN1ALDH1A1HTR1AKMT2A
SCHEMBL13532584 0.79
SCHEMBL9529439 0.79
SCHEMBL10672091 0.78 HTR2A (0.53) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL9602778 0.78 HTR2A (0.53) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL9826691 0.77

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
EP-0220873-B1 Fused bicyclic imides with psychotropic activity AMERICAN HOME PROD (US) 1993-11-24 EP claimed