SCHEMBL10696574

SCHEMBL10696574

CC1CC(O)N(Cc2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
CAPN1 P07384 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
EHMT2 Q96KQ7 1/20 0.49
HCRTR1 O43613 3/20 0.48
HCRTR2 O43614 3/20 0.48
MAPT P10636 1/20 0.45
SMO Q99835 2/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MT-CO2 P00403 1/20 0.42
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL17426060 0.83 EHMT2 (0.51) TSHRCYP3A4CYP2C19CAPN1EHMT2
SCHEMBL289305 0.81 CAPN1 (0.60) TSHRCYP3A4CYP2C19CAPN1MEN1
SCHEMBL289304 0.81 CAPN1 (0.60) TSHRCYP3A4CYP2C19CAPN1MEN1
SCHEMBL28021324 0.79 CAPN1 (0.64) TSHRCYP3A4CYP2C19CAPN1MEN1
SCHEMBL19290951 0.77 TSHR (0.51) TSHRCYP3A4CYP2C19CAPN1MEN1
SCHEMBL23564393 0.76 TSHR (0.54) TSHRCYP3A4CYP2C19CAPN1MEN1
SCHEMBL23564389 0.76 TSHR (0.54) TSHRCYP3A4CYP2C19CAPN1MEN1
SCHEMBL23563775 0.76 TSHR (0.54) TSHRCYP3A4CYP2C19CAPN1MEN1
SCHEMBL23564233 0.76 TSHR (0.54) TSHRCYP3A4CYP2C19CAPN1MEN1
SCHEMBL13262070 0.74 MEN1 (0.45) TSHRCYP3A4CYP2C19MEN1KMT2A

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
EP-0266563-A2 Use of 1-benzyl-amino-alkyl-pyrrolidinones as antidepressants BOEHRINGER INGELHEIM KG (DE) 1988-05-11 EP disclosed