SCHEMBL17257537

SCHEMBL17257537

CC1CN(C)CCC1OC(=O)C(C)(c1ccccc1)C1CCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CHRM3 P20309 10/20 0.52
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM1 P11229 2/20 0.43

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
SCHEMBL17257505 0.98 ALDH1A1 (0.55) ALDH1A1CYP1A2CHRM3CYP3A4CYP2D6
SCHEMBL17257520 0.95 CHRM3 (0.48) ALDH1A1CYP1A2CHRM3CYP3A4CYP2D6
SCHEMBL17257680 0.88 CHRM3 (0.43) ALDH1A1CYP1A2CHRM3CYP3A4CYP2D6
SCHEMBL17257621 0.87 CHRM3 (0.43) ALDH1A1CYP1A2CHRM3CYP3A4CYP2D6
SCHEMBL17257506 0.87 CHRM3 (0.43) ALDH1A1CYP1A2CHRM3CYP3A4CYP2D6
SCHEMBL17257471 0.87 CHRM3 (0.44) ALDH1A1CYP1A2CHRM3CYP3A4CYP2D6
SCHEMBL17257648 0.86 CHRM3 (0.42) ALDH1A1CYP1A2CHRM3CYP3A4CYP2D6
SCHEMBL17257485 0.85 CHRM3 (0.45) ALDH1A1CYP1A2CHRM3CYP3A4CYP2D6
SCHEMBL17257611 0.85 ALDH1A1 (0.44) ALDH1A1CYP1A2CHRM3CYP3A4CYP2D6
SCHEMBL17257703 0.85 ALDH1A1 (0.44) ALDH1A1CYP1A2CHRM3CYP3A4CYP2D6

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