SCHEMBL17257547

SCHEMBL17257547

CC1CN(C)CCC1OC(=O)C(C)(c1ccc(Cl)s1)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
SSTR4 P31391 3/20 0.34
SSTR1 P30872 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM3 P20309 8/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CHRM1 P11229 3/20 0.32
CHRM2 P08172 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32

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
SCHEMBL17257570 0.87 ALDH1A1 (0.39) ALDH1A1CYP1A2SSTR4SSTR1CYP3A4
SCHEMBL4243567 0.84 CHRM3 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL17257391 0.80 CHRM3 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL17257506 0.80 CHRM3 (0.43) ALDH1A1CYP1A2SSTR4SSTR1CYP3A4
SCHEMBL17257537 0.80 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL17257505 0.78 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL4242263 0.77 SMN1; SMN2 (0.35) ALDH1A1CHRM3CHRM1CHRM2L3MBTL1
SCHEMBL17257680 0.77 CHRM3 (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL17257621 0.76 CHRM3 (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL17257471 0.76 CHRM3 (0.44) ALDH1A1CYP1A2SSTR4SSTR1CYP3A4

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-10113049-B2 Thermoplastic resin composition NIPPON NYUKAZAI CO., LTD. (JP) 2018-10-30 US disclosed
US-20150329698-A1 THERMOPLASTIC RESIN COMPOSITION NIPPON NYUKAZAI CO., LTD. (JP) 2015-11-19 US disclosed