SCHEMBL9726239

SCHEMBL9726239

O=S1(=O)N(CCCN2CC=C(c3ccccc3)CC2)c2cccc3c2N1CCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.57
KDM4E B2RXH2 1/20 0.57
GMNN O75496 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
SLC6A4 P31645 1/20 0.57
CYP2C19 P33261 1/20 0.57
THPO P40225 1/20 0.57
PMP22 Q01453 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HIF1A Q16665 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL7793815 0.79 SLC6A4 (0.80) HTR2AKDM4EGMNNALDH1A1LMNA
SCHEMBL9726225 0.79 PARP1 (0.47) SIGMAR1PARP1
SCHEMBL9726206 0.77 HTR2A (0.62) HTR2AKDM4EGMNNALDH1A1LMNA
SCHEMBL9726221 0.76 HTR2A (0.64) HTR2AKDM4EGMNNALDH1A1LMNA
SCHEMBL9726199 0.76 HTR7 (0.44) HTR7PARP1
SCHEMBL7793840 0.74 HTR2A (0.59) HTR2AKDM4EGMNNALDH1A1LMNA
SCHEMBL9726198 0.74 DRD2 (0.70) HTR2AKDM4EGMNNALDH1A1LMNA
SCHEMBL9726205 0.74 HTR2A (0.70) HTR2AKDM4EGMNNALDH1A1LMNA
SCHEMBL7793847 0.73 SLC6A4 (1.00) HTR2AKDM4EGMNNALDH1A1LMNA
SCHEMBL29363403 0.73 SLC6A4 (1.00) HTR2AKDM4EGMNNALDH1A1LMNA

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-5130313-A Central nervous system disorders, cardiovascular disorders or gastrointestinal disorders RHONE-POULENC SANTE (FR) 1992-07-14 US disclosed