SCHEMBL8722753

SCHEMBL8722753

O=[C]N1CCN(c2cc(Cl)cnn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.34
▸ GLS O94925 3/20 0.34
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.31
▸ HRH4 Q9H3N8 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL8722754 0.79 TRPV1 (0.34) TRPV1GLSCHRNB2CHRNA4
SCHEMBL29544097 0.68 HRH4 (0.47) GLSHRH4MEN1KMT2A
SCHEMBL18890299 0.68 HRH4 (0.47) GLSHRH4MEN1KMT2A
SCHEMBL18790702 0.68 CYP11B2 (0.52) —
SCHEMBL7678390 0.66 SORD (0.48) —
SCHEMBL18890300 0.64 GLS (0.52) TRPV1GLS
SCHEMBL8717874 0.63 HTR3E (0.53) MEN1KMT2A
SCHEMBL5525542 0.62 ALDH1A1 (0.56) KMT2A
SCHEMBL29046568 0.62 SIRT2 (0.38) —
SCHEMBL209742 0.61 — —

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-5776936-A Marcfortine/paraherquamide derivatives useful as antiparasitic agents PHARMACIA & UPJOHN COMPANY (US) 1998-07-07 — — US claimed
US-5776936-A Marcfortine/paraherquamide derivatives useful as antiparasitic agents PHARMACIA & UPJOHN COMPANY (US) 1998-07-07 — — US disclosed
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