SCHEMBL8477103

SCHEMBL8477103

O=C(c1c(C(c2ccccc2)c2ccccc2)c2ccccc2n1CCN1CCCC1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR7 P34969 3/20 0.43
HTT P42858 1/20 0.43
MAPK14 Q16539 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL8473313 0.99 ALDH1A1 (0.44) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8475503 0.92 CYP1A2 (0.44) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8472353 0.87 ALDH1A1 (0.45) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8900037 0.85 DRD2 (0.47) MAPK1LMNATSHRHTR7HTT
SCHEMBL8477100 0.85 CACNA2D1 (0.42) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8472630 0.83 POLB (0.45) ALDH1A1KDM4EMEN1KMT2AHTR7
SCHEMBL7609464 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8472363 0.82 POLB (0.47) ALDH1A1KDM4EALOX15HSD17B10LMNA
SCHEMBL8476087 0.82 POLB (0.42) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8472878 0.78 AKR1C3 (0.47) TSHRHTR7

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