SCHEMBL7615347

SCHEMBL7615347

COCOc1ccc(C(c2ccc(OCOC)cc2)c2c(C(=O)N3CCCCC3)n(CCN(C)C)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.44
HPGD P15428 2/20 0.37
CNR1 P21554 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SLC6A4 P31645 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
SLC6A2 P23975 1/20 0.35
PTGER4 P35408 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
SCHEMBL7617024 0.92 ALDH1A1 (0.38) CNR2HPGDCNR1SMN1; SMN2HRH3
SCHEMBL7612492 0.90 TP53 (0.39) SMN1; SMN2
SCHEMBL7615681 0.89 MAPK1 (0.43) HPGDSMN1; SMN2
SCHEMBL7616570 0.88 DRD2 (0.40) CNR2SMN1; SMN2
SCHEMBL8476032 0.87 CNR2 (0.52) CNR2CNR1SMN1; SMN2
SCHEMBL9079757 0.86 CNR2 (0.49) CNR2HPGDCNR1SMN1; SMN2
SCHEMBL7612724 0.86 ALDH1A1 (0.39) HPGDSMN1; SMN2PTGER4
SCHEMBL8477117 0.85 KDM4E (0.42) HPGDSMN1; SMN2SLC6A4HRH3SLC6A2
SCHEMBL7613036 0.85 KDM4E (0.38) CNR2HPGDPTGER4
SCHEMBL8477343 0.84 KDM4E (0.41) HPGDSMN1; SMN2SLC6A4HRH3SLC6A2

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-0741132-B1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2002-04-10 EP disclosed
EP-0741132-A1 INDOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-11-06 EP disclosed