SCHEMBL9863607

SCHEMBL9863607

CCCC([N])c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.46
LMNA P02545 1/20 0.43
HRH1 P35367 6/20 0.40
HTR2A P28223 6/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
RIPK1 Q13546 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9863510 0.80 LMNA (0.52) AOC3LMNAHRH1HTR2ATAAR1
SCHEMBL107889 0.77 HRH1 (0.56) AOC3LMNAHRH1HTR2AOPRM1
SCHEMBL8157573 0.75 AOC3 (0.48) AOC3LMNAHRH1HTR2ASIGMAR1
Hydrogen Peroxide SCHEMBL27864054 0.75 HRH1 (0.54) AOC3LMNAHRH1HTR2AOPRM1
Ammonia Solution, Strong SCHEMBL5724927 0.75 HRH1 (0.54) AOC3LMNAHRH1HTR2AOPRM1
Hydrochloric Acid SCHEMBL6521685 0.75 HRH1 (0.54) AOC3LMNAHRH1HTR2AOPRM1
SCHEMBL1263573 0.75 AOC3 (0.48) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL28229621 0.75 HRH1 (0.54) AOC3LMNAHRH1HTR2AOPRM1
SCHEMBL701806 0.74 CA12 (0.44) AOC3TDP1
SCHEMBL190949 0.73 RIPK1 (0.59) AOC3LMNATAAR1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5025005-A Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-18 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
US-4737518-A ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-12 US disclosed