SCHEMBL7414030

SCHEMBL7414030

O=C1CC2CCCC(C1)N2C(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
CHRM4 P08173 1/20 0.45
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
FKBP1A P62942 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
SCHEMBL8122326 0.94 CHRM2 (0.38) CHRM2CHRM1CHRM3CHRM4MAPK1
SCHEMBL4830125 0.85 CHRM1 (0.47) CHRM2CHRM1CHRM3CHRM4ALDH1A1
SCHEMBL3745563 0.81 MAPK1 (0.48) CHRM1CHRM4MAPK1ALDH1A1POLB
SCHEMBL17101473 0.76 MAPK1 (0.40) CHRM2CHRM1CHRM3CHRM4MAPK1
SCHEMBL857819 0.75 CHRM1 (0.38) CHRM2CHRM1CHRM3CHRM4
SCHEMBL29461904 0.75 MAPK1 (0.42) CHRM1MAPK1ALDH1A1POLB
SCHEMBL156133 0.74 CHRM2 (0.56) CHRM2CHRM1CHRM3MAPK1
SCHEMBL12875999 0.74 CHRM2 (0.56) CHRM2CHRM1CHRM3MAPK1
SCHEMBL15618675 0.74 CHRM1 (0.42) CHRM2CHRM1CHRM3CHRM4MAPK1
SCHEMBL31694645 0.74 MAPK1 (0.52) CHRM2CHRM1CHRM3CHRM4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250537-A Treating psychoses SCIOS NOVA INC. (US) 1993-10-05 US disclosed