Sugi Predict

Sugi Predict / Compounds / SCHEMBL8936903

SCHEMBL8936903

SCHEMBL8936903

CC(c1ccccc1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)CC1(OC(=O)C(=O)OC2(CN(C)C(C)c3ccccc3OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)N=NN=N2)N=NN=N1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 14/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ MME P08473 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ SLC1A5 Q15758 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL8936909 0.92 TACR1 (0.38) TACR1GPBAR1MMEACECPA1
SCHEMBL8936871 0.74 TACR1 (0.45) TACR1
SCHEMBL8936863 0.72 TACR1 (0.45) TACR1
SCHEMBL8936826 0.71 TACR1 (0.61) TACR1
SCHEMBL8936832 0.71 TACR1 (0.61) TACR1
SCHEMBL8936931 0.70 TACR1 (0.40) TACR1
SCHEMBL8936904 0.68 TACR1 (0.63) TACR1
SCHEMBL8936828 0.67 TACR1 (0.38) TACR1PTPN1
SCHEMBL8936907 0.67 TACR1 (0.64) TACR1
SCHEMBL5793298 0.66 MAPT (0.52) HIF1A

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-5494926-A ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT; TREATING PAIN, HEADACHE MERCK SHARP & DOHME LTD. (GB) 1996-02-27 — — US disclosed
WO-1993024465-A1 2/3-(HETEROCYCLIC ALKYL AMINO)-1-(SUBST.-PHENYL-METHOXY)-ETHANES/PROPANES AS TACHYKININ-RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1993-12-09 — — WO disclosed