SCHEMBL11242393

SCHEMBL11242393

c1ccc2c(c1)CN(C1CCNCC1)c1ccccc1O2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.49
HTR2B P41595 7/20 0.49
HTR2A P28223 5/20 0.49
PIM1 P11309 1/20 0.41
PARP1 P09874 3/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CACNA1B Q00975 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
P2RX4 Q99571 1/20 0.34

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
SCHEMBL11238737 0.86 PIM1 (0.41) HTR2CHTR2BHTR2APIM1PARP1
SCHEMBL7400974 0.84 PARP1 (0.47) HTR2CHTR2BHTR2APARP1MAOA
Hydrochloric Acid SCHEMBL11101784 0.82 PARP1 (0.46) HTR2CHTR2BHTR2APARP1MAOA
SCHEMBL11256455 0.82 P2RX4 (0.48) MAOAMAOBGAAP2RX4
SCHEMBL38662568 0.78 PIM1 (0.49) HTR2CHTR2BHTR2APIM1CACNA1B
SCHEMBL9280480 0.77 HTR2C (0.56) HTR2CHTR2BHTR2APARP1
SCHEMBL11247722 0.75 HTR2C (0.50) HTR2CHTR2BHTR2APARP1GAA
SCHEMBL11247293 0.73 HTR2C (0.49) HTR2CHTR2BHTR2APARP1MAOA
SCHEMBL357767 0.73 HTR2C (0.51) HTR2CHTR2BHTR2A
SCHEMBL9522239 0.72 HTR2C (0.43) HTR2CHTR2BHTR2APARP1

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 3 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
EP-0026469-A1 Dibenzazepine derivatives, their production and pharmaceutical compositions containing them SANDOZ AG (CH) 1981-04-08 EP claimed
US-4360525-A NEUROLEPTIC AGENTS, ANTIDEPRESSANTS, SLEEP PROMOTERS SANDOZ LTD. (CH) 1982-11-23 US disclosed