SCHEMBL8504530

SCHEMBL8504530

CC1Cc2ccccc2OC1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
TSHR P16473 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAOA P21397 6/20 0.39
MAOB P27338 6/20 0.39
AOC2 O75106 5/20 0.39
DAO P14920 1/20 0.39
HPGD P15428 1/20 0.39
NISCH Q9Y2I1 1/20 0.37
CREBBP Q92793 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
BRD4 O60885 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
SCHEMBL7313976 0.80 AOC2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31015921 0.80 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11044980 0.79 HSP90AB1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11045985 0.79 HSP90AB1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11044983 0.79 HSP90AB1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23867147 0.79 HSP90AB1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL10598707 0.79 AOC2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL10599677 0.79 AOC2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL10598703 0.79 AOC2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11044986 0.79 HSP90AB1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863923-A TREATMENT OF ANXIETY, PSYCHOSIS, SCHIZOPHRENIA, DRUG ABUSE, IRRITABLE BOWEL SYNDROME JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-26 US disclosed
US-5674868-A ADMINISTERING TO TREAT DISORDERS SUCH AS ANXIETY, PSYCHOSIS, DEPRESSION, SCHIZOPHRENIA, DURG ABUSE, MIGRAINE, EMESIS AND IRRITABLE BOWEL SYNDROME JANSSEN PHARMACEUTICA N.V. (BE) 1997-10-07 US disclosed
EP-0669919-A1 USE OF DIMETHYLBENZOFURANS AND DIMETHYLBENZOPYRANS AS 5-HT3 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1995-09-06 EP disclosed
WO-1994012494-A1 USE OF DIMETHYLBENZOFURANS AND DIMETHYLBENZOPYRANS AS 5-HT3 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-09 WO disclosed
EP-0277384-A2 1H-imidazole-5-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-10 EP disclosed