SCHEMBL9702265

SCHEMBL9702265

Cc1c(C)c2c(c(C)c1O)CCC(C)(CC(=O)N1CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.62
TSHR P16473 2/20 0.62
USP2 O75604 2/20 0.62
CYP2C9 P11712 2/20 0.62
TP53 P04637 1/20 0.62
ALOX15 P16050 1/20 0.62
NFKB1 P19838 1/20 0.62
THPO P40225 1/20 0.62
HIF1A Q16665 1/20 0.62
LCK P06239 1/20 0.62
FYN P06241 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA1D P25100 1/20 0.62
MAPK3 P27361 1/20 0.62
HTR2C P28335 1/20 0.62
MC4R P32245 1/20 0.62
HRH1 P35367 1/20 0.62
OPRM1 P35372 1/20 0.62
DRD3 P35462 1/20 0.62

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
SCHEMBL9702365 0.93 CYP3A4 (0.74) CYP3A4TSHRUSP2CYP2C9TP53
SCHEMBL9690265 0.87 KMT2A (0.48) CYP3A4TSHRUSP2CYP2C9TP53
SCHEMBL9689753 0.82 CYP2C9 (0.69) CYP3A4TSHRUSP2CYP2C9TP53
SCHEMBL6433736 0.77 USP2 (1.00) CYP3A4TSHRUSP2CYP2C9TP53
Hydrochloric Acid SCHEMBL29435423 0.76 LMNA (1.00) CYP3A4TSHRUSP2CYP2C9TP53
Hydrochloric Acid SCHEMBL3092488 0.76 LMNA (1.00) CYP3A4TSHRUSP2CYP2C9TP53
Hydrochloric Acid SCHEMBL29377695 0.76 LMNA (1.00) CYP3A4TSHRUSP2CYP2C9TP53
SCHEMBL9756674 0.76 CYP3A4 (0.67) CYP3A4TSHRUSP2CYP2C9TP53
SCHEMBL9689222 0.75 CYP3A4 (0.41) CYP3A4TSHRUSP2CYP2C9TP53
SCHEMBL5675007 0.74 CYP3A4 (0.63) CYP3A4TSHRUSP2CYP2C9TP53

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
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed