Sugi Predict

Sugi Predict / Compounds / SCHEMBL3477302

SCHEMBL3477302

SCHEMBL3477302

CCOC(=O)[C@@H]1[C@@H](CNCc2ccccc2)CC[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.53
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL5148043 0.92 TACR1 (0.57) TACR1KCNH2
SCHEMBL4459165 0.92 TACR1 (0.57) TACR1KCNH2
SCHEMBL3477972 0.86 TACR1 (0.60) TACR1KCNH2
SCHEMBL3476074 0.84 TACR1 (0.53) TACR1
SCHEMBL3476484 0.83 TACR1 (0.59) TACR1KCNH2
SCHEMBL3475908 0.82 TACR1 (0.61) TACR1KCNH2
SCHEMBL3478029 0.82 TACR1 (0.62) TACR1KCNH2
SCHEMBL4458814 0.77 TACR1 (0.66) TACR1KCNH2
SCHEMBL5183141 0.77 TACR1 (0.66) TACR1KCNH2
SCHEMBL8706447 0.77 TACR1 (0.54) 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-7683068-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-03-23 — — US disclosed