SCHEMBL8926653

SCHEMBL8926653

CC1(C(=O)O)CCC(c2ccccc2)N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
CYP2C19 P33261 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM1A O60341 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
CHRNA7 P36544 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9420060 0.77 PRCP (0.40) TRPA1KDM1AMAOAMAOBCHRNA7
SCHEMBL28874187 0.74 TRPA1 (0.35) TRPA1GAAAKR1C1POLB
SCHEMBL7775220 0.71 DDB1 (0.33) USP2ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL3401854 0.71 DDB1 (0.39) KDM1AMAOAMAOB
SCHEMBL31504308 0.70 TRPA1 (0.45) TRPA1KDM1AMAOAMAOB
SCHEMBL13430605 0.70 FFAR3 (0.39) CYP2C19MAPK1ALDH1A1SMN1; SMN2
SCHEMBL8890810 0.70 FFAR3 (0.39) CYP2C19MAPK1ALDH1A1SMN1; SMN2
SCHEMBL3711674 0.70 USP2 (0.39) CYP2C19USP2MAPK1ALDH1A1SMN1; SMN2
SCHEMBL18801244 0.70 TRPA1 (0.35) TRPA1ALDH1A1KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL28519862 0.68 SLC18A3 (0.35) USP2ALDH1A1MAPTSMN1; SMN2KDM1A

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-5624939-A N-acyl pyrrolidines and drugs for the treatment or prevention of cholecystokinin and gastrin-related disorders RHONE-POULENC RORER, S.A. (FR) 1997-04-29 US disclosed