SCHEMBL8488928

SCHEMBL8488928

COc1ccc(CN(OCC(O)CN2CCN(Cc3ccc4ccccc4n3)CC2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MCHR1 Q99705 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
FAAH O00519 1/20 0.41
MAPK1 P28482 2/20 0.40
CYP2D6 P10635 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD4 P21917 1/20 0.39
ABCB1 P08183 4/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL8491622 0.84 CYP2D6 (0.49) ALDH1A1MEN1KMT2AMAPK1CYP2D6
SCHEMBL8488933 0.80 FAAH (0.40) MEN1KMT2AMCHR1POLBFAAH
SCHEMBL8488931 0.77 MCHR1 (0.43) ALDH1A1MEN1KMT2AMCHR1FAAH
SCHEMBL7375596 0.74 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMCHR1FAAH
SCHEMBL13150429 0.70 FAAH (0.63) ALDH1A1MEN1KMT2AFAAHCYP2C19
SCHEMBL8489959 0.70 MCHR1 (0.44) MCHR1FAAHDRD4SIGMAR1
SCHEMBL3075662 0.69 TSHR (0.49) ALDH1A1L3MBTL1CYP2D6TSHRHSD17B10
SCHEMBL8489951 0.68 FAAH (0.52) ALDH1A1MEN1KMT2AMCHR1POLB
SCHEMBL8487205 0.67 HSD17B10 (0.57) ALDH1A1MEN1KMT2AL3MBTL1FAAH
SCHEMBL7375594 0.66 KMT2A (0.44) ALDH1A1MEN1KMT2AMCHR1FAAH

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-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed