SCHEMBL11533744

SCHEMBL11533744

OCCN1CCN(C2=Nc3cc(F)ccc3Nc3ccsc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.55
HRH1 P35367 1/20 0.55
PAK1 Q13153 1/20 0.55
HRH4 Q9H3N8 1/20 0.51

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
SCHEMBL11526082 0.94 CHRM1 (0.53) CHRM1HRH1PAK1
SCHEMBL11531754 0.88 CHRM1 (0.70) CHRM1HRH1PAK1
SCHEMBL11530525 0.83 DRD2 (0.51) CHRM1HRH1PAK1
SCHEMBL11531624 0.83 CHRM1 (0.54) CHRM1HRH1PAK1
SCHEMBL11536476 0.82 CHRM1 (0.51) CHRM1HRH1PAK1HRH4
SCHEMBL11527558 0.80 CHRM1 (0.49) CHRM1HRH1PAK1
SCHEMBL11532513 0.80 HRH4 (0.49) CHRM1HRH1HRH4
SCHEMBL9373916 0.76 CHRM1 (0.48) CHRM1HRH1PAK1HRH4
SCHEMBL11532012 0.74 CHRM1 (0.66) CHRM1HRH1PAK1HRH4
SCHEMBL11528431 0.72 CHRM1 (0.64) CHRM1HRH1PAK1

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-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed