SCHEMBL11247293

SCHEMBL11247293

c1ccc2c(c1)CN(C1CCNCC1)c1ccccc1S2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.49
HTR2B P41595 5/20 0.49
HTR2A P28223 5/20 0.49
KDM1A O60341 3/20 0.41
PARP1 P09874 2/20 0.40
SIGMAR1 Q99720 1/20 0.38
BCHE P06276 3/20 0.37
ACHE P22303 1/20 0.37
MAOA P21397 1/20 0.36

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
SCHEMBL11256538 0.86 HTR2C (0.47) HTR2CHTR2BHTR2ASIGMAR1BCHE
SCHEMBL11258249 0.82 CYP2D6 (0.49) HTR2CHTR2BHTR2AKDM1ASIGMAR1
SCHEMBL12537100 0.78 KDM1A (0.47) HTR2CHTR2BHTR2AKDM1ABCHE
SCHEMBL38663158 0.78 KDM1A (0.47) HTR2CHTR2BHTR2AKDM1ABCHE
SCHEMBL9280480 0.77 HTR2C (0.56) HTR2CHTR2BHTR2APARP1
SCHEMBL11247722 0.75 HTR2C (0.50) HTR2CHTR2BHTR2APARP1
SCHEMBL11242393 0.73 HTR2C (0.49) HTR2CHTR2BHTR2APARP1MAOA
SCHEMBL15006825 0.72 HTR2C (0.48) HTR2CHTR2BHTR2APARP1
SCHEMBL2709111 0.70 HTR2C (0.77) HTR2CHTR2BHTR2A
SCHEMBL11241659 0.70 CYP1A2 (0.42) HTR2CHTR2BHTR2AKDM1ASIGMAR1

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
US-4360525-A NEUROLEPTIC AGENTS, ANTIDEPRESSANTS, SLEEP PROMOTERS SANDOZ LTD. (CH) 1982-11-23 US claimed
US-4360525-A NEUROLEPTIC AGENTS, ANTIDEPRESSANTS, SLEEP PROMOTERS SANDOZ LTD. (CH) 1982-11-23 US disclosed