SCHEMBL9458387

SCHEMBL9458387

NC(=O)C12CCCN(CCC1)C2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PKM P14618 1/20 0.33

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
SCHEMBL9049033 0.96 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3PKM
SCHEMBL8790912 0.91 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3PKM
SCHEMBL9050123 0.86 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3PKM
SCHEMBL3951763 0.79 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL9051821 0.77 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3
SCHEMBL205678 0.77 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3
SCHEMBL31731969 0.76 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3
SCHEMBL205297 0.76 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3
SCHEMBL8790867 0.74 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL2421629 0.74 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3

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-5244907-A Treatment of serotonin imbalance, increase in gastric motility, antiemetics, antiarrhythmia agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-09-14 US disclosed
US-5190953-A 1-azabicyclo(3.2.1.)octan-5-ylmethyl- or 1-azabicyclo(3.3.1) nonan-5-ylmethyl derivatives of carboxamides, thiocarboxamides or esters, thioesters A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-02 US disclosed