SCHEMBL9036801

SCHEMBL9036801

COc1ccc(C(=O)N2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 3/20 0.53
GAA P10253 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 2/20 0.48
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
HTR1A P08908 1/20 0.48
CHRM5 P08912 1/20 0.48

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
SCHEMBL7217691 0.89 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4EGAACYP2C19
SCHEMBL7299134 0.84 SETD7 (0.51) MAPK1ALDH1A1SMN1; SMN2KDM4ECYP2C19
Hydrochloric Acid SCHEMBL7212583 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4ECYP2C19MAPT
SCHEMBL9035896 0.82 SIGMAR1 (0.54) MAPK1ALDH1A1KDM4ECYP2C19MAPT
SCHEMBL7213758 0.81 TSHR (0.54) ALDH1A1GAACYP2C19MAPTPOLB
Hydrochloric Acid SCHEMBL7212711 0.81 SIGMAR1 (0.53) MAPK1ALDH1A1KDM4ECYP2C19MAPT
SCHEMBL7299683 0.80 SETD7 (0.53) ALDH1A1CYP2C19MAPTPOLBLMNA
SCHEMBL7212409 0.80 KMT2A (0.50) ALDH1A1SMN1; SMN2GAACYP2C19LMNA
Hydrochloric Acid SCHEMBL9034533 0.79 SETD7 (0.52) ALDH1A1CYP2C19MAPTPOLBLMNA
SCHEMBL9034437 0.79 SETD7 (0.54) ALDH1A1KDM4ECYP2C19POLBHTT

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
EP-0371805-B1 Piperidine derivatives and hypotensives containing the same AJINOMOTO KK (JP) 1996-06-26 EP claimed
EP-0371805-A2 Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1990-06-06 EP claimed