SCHEMBL8472353

SCHEMBL8472353

CN(C)CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)c(C(c2ccccc2)c2ccccc2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK14 Q16539 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7609464 0.95 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPK1ALOX15
SCHEMBL8476087 0.94 POLB (0.42) ALDH1A1KDM4EHPGDMAPK1ALOX15
SCHEMBL7615681 0.89 MAPK1 (0.43) ALDH1A1KDM4EHPGDMAPK1ALOX15
SCHEMBL8477103 0.87 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPK1ALOX15
SCHEMBL8476032 0.87 CNR2 (0.52) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL8473313 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPK1ALOX15
SCHEMBL8474630 0.87 KMT2A (0.42) ALDH1A1HSD17B10MEN1KMT2ALMNA
SCHEMBL8479507 0.86 CNR2 (0.44) ALDH1A1KDM4EHPGDMAPK1ALOX15
SCHEMBL8475503 0.86 CYP1A2 (0.44) ALDH1A1KDM4EHPGDMAPK1ALOX15
SCHEMBL8477092 0.85 DRD2 (0.44) MAPK1MEN1KMT2ALMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed