SCHEMBL8713753

SCHEMBL8713753

Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCCCC1)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA1D P25100 1/20 0.38
MAPK3 P27361 1/20 0.38
HTR2C P28335 1/20 0.38
MC4R P32245 1/20 0.38
HRH1 P35367 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 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
SCHEMBL8713358 0.99 USP2 (0.38) USP2TP53CYP3A4CYP2C9ALOX15
SCHEMBL8718755 0.88 USP2 (0.35) USP2TP53CYP3A4CYP2C9ALOX15
SCHEMBL8714579 0.88 USP2 (0.33) USP2TP53CYP3A4CYP2C9ALOX15
SCHEMBL6982137 0.86 USP2 (0.32) USP2TP53CYP3A4CYP2C9ALOX15
Hydrochloric Acid SCHEMBL8715199 0.85 KMT2A (0.32) USP2TP53CYP3A4CYP2C9ALOX15
Hydrochloric Acid SCHEMBL6974806 0.85 GMNN (0.33) USP2TP53CYP3A4CYP2C9ALOX15
SCHEMBL661399 0.83 USP2 (0.38) USP2TP53CYP3A4CYP2C9ALOX15
SCHEMBL6981092 0.82 DRD3 (0.34) USP2TP53CYP3A4CYP2C9ALOX15
SCHEMBL659619 0.82 USP2 (0.38) USP2TP53CYP3A4CYP2C9ALOX15
SCHEMBL8714190 0.81 MEN1 (0.32) USP2TP53CYP3A4CYP2C9ALOX15

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483772-B1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-09-13 EP claimed
EP-0483772-A1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-06 EP claimed
US-5770772-A 4-FORMYLAMINO-2,3,5-TRIMETHYL-1-(2-METHYL-2-PROPENYLOXY) -BENZENE; ARTERIOSCLEROSIS, BRAIN AND CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
US-5594154-A 5-AMINO-2-BROMOMETHYL-2,4,6,7-TETRAMETHYL-2,3-DIHYDROBENZO(B) FURANS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
US-5478844-A Method of using aminocoumaran derivatives for treating cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0483772-B1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-09-13 EP disclosed
US-5376681-A Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-27 US disclosed
EP-0483772-A1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-06 EP disclosed