SCHEMBL9079757

SCHEMBL9079757

CN(C)CCn1c(C(=O)N2CCCCC2)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.49
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR6 P50406 1/20 0.37
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL7617285 0.95 CNR2 (0.46) CNR2CNR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8476032 0.93 CNR2 (0.52) CNR2CNR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7615030 0.89 KMT2A (0.39) CNR2ALDH1A1MAPT
SCHEMBL7609464 0.87 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL7615399 0.87 CNR2 (0.39) CNR2ALDH1A1MAPTSMN1; SMN2HTR6
SCHEMBL7615347 0.86 CNR2 (0.44) CNR2CNR1SMN1; SMN2HPGD
SCHEMBL9079942 0.86 DRD2 (0.42) CNR2ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL8479507 0.84 CNR2 (0.44) CNR2ALDH1A1MAPTSMN1; SMN2HTR6
SCHEMBL8474602 0.83 KDM4E (0.49) CNR2ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7615408 0.83 CNR2 (0.36) CNR2CNR1ALDH1A1MAPTSMN1; SMN2

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-0741132-A1 INDOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-11-06 EP disclosed