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Sugi Predict / Compounds / SCHEMBL8700751

SCHEMBL8700751

SCHEMBL8700751

C[C@@H](O[C@H]1CC[C@@H](CN2CCC(C(N)=O)CC2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.61
▸ KCNH2 Q12809 1/20 0.54

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
SCHEMBL8706402 1.00 TACR1 (0.61) TACR1KCNH2
SCHEMBL8700110 0.90 TACR1 (0.61) TACR1KCNH2
SCHEMBL8701402 0.88 TACR1 (0.65) TACR1KCNH2
SCHEMBL8701404 0.88 TACR1 (0.65) TACR1KCNH2
SCHEMBL8701401 0.88 TACR1 (0.65) TACR1KCNH2
SCHEMBL5213929 0.87 TACR1 (0.56) TACR1KCNH2
SCHEMBL5213943 0.87 TACR1 (0.56) TACR1KCNH2
SCHEMBL5213936 0.87 TACR1 (0.56) TACR1KCNH2
SCHEMBL8461878 0.87 TACR1 (0.64) TACR1KCNH2
SCHEMBL8700797 0.86 TACR1 (0.58) TACR1

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-5750549-A ANTIINFLAMMATORY AGENTS OR ANALGESICS MERCK & CO., INC. (US) 1998-05-12 — — US disclosed