SCHEMBL8908608

SCHEMBL8908608

COC(=O)CCC(=O)N1CCC(C(=O)NC(CCC(C)(c2ccccc2)c2ccccc2)N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.44
OPRL1 P41146 1/20 0.44
CCR1 P32246 8/20 0.43
CCR3 P51677 5/20 0.43
ADRA2A P08913 2/20 0.40
DRD4 P21917 2/20 0.40
HRH2 P25021 2/20 0.40
SLC6A4 P31645 2/20 0.40
ADRA1A P35348 2/20 0.40
KCNH2 Q12809 2/20 0.40
SCN5A Q14524 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
MEN1 O00255 1/20 0.39
CES2 O00748 1/20 0.39
SLC22A1 O15245 1/20 0.39

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
Hydrochloric Acid SCHEMBL8907854 0.86 OPRM1 (0.46) OPRM1OPRL1CCR1CCR3ADRA2A
Hydrochloric Acid SCHEMBL8891721 0.84 OPRM1 (0.49) OPRM1OPRL1CCR1CCR3ADRA2A
Hydrochloric Acid SCHEMBL8892932 0.84 MEN1 (0.45) OPRM1OPRL1CCR1CCR3ADRA2A
Hydrochloric Acid SCHEMBL8891302 0.81 CCR1 (0.50) OPRM1OPRL1CCR1CCR3ADRA2A
Hydrochloric Acid SCHEMBL8893906 0.79 OPRM1 (0.50) OPRM1OPRL1CCR1CCR3ADRA2A
SCHEMBL8892446 0.79 OPRM1 (0.50) OPRM1OPRL1CCR1CCR3ADRA2A
SCHEMBL8908604 0.77 CCR3 (0.68) CCR1CCR3
Hydrochloric Acid SCHEMBL8892207 0.77 OPRM1 (0.50) OPRM1OPRL1CCR1CCR3ADRA2A
Hydrochloric Acid SCHEMBL8891622 0.77 CCR3 (0.67) CCR1CCR3
Hydrochloric Acid SCHEMBL7465509 0.75 OPRM1 (0.42) OPRM1OPRL1CCR1CCR3ADRA2A

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
WO-1997024325-A1 DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed