Sugi Predict

Sugi Predict / Compounds / SCHEMBL8936842

SCHEMBL8936842

SCHEMBL8936842

CC(C#N)N(C)C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.61
▸ CACNA1F O60840 2/20 0.57
▸ CACNA1D Q01668 2/20 0.57
▸ CACNA1S Q13698 2/20 0.57
▸ CACNA1C Q13936 2/20 0.57

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
SCHEMBL8936847 0.84 TACR1 (0.67) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8936837 0.84 TACR1 (0.67) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8936934 0.84 TACR1 (0.67) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5791020 0.80 TACR1 (0.61) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8911717 0.75 TACR1 (1.00) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5641295 0.75 TACR1 (0.64) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8936834 0.75 TACR1 (0.66) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8936830 0.74 TACR1 (0.65) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8878825 0.74 TACR1 (0.65) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8936919 0.73 TACR1 (1.00) TACR1CACNA1FCACNA1DCACNA1SCACNA1C

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-5494926-A ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT; TREATING PAIN, HEADACHE MERCK SHARP & DOHME LTD. (GB) 1996-02-27 — — US disclosed