Sugi Predict

Sugi Predict / Compounds / SCHEMBL5410366

SCHEMBL5410366

SCHEMBL5410366

CNC[C@@]12CC1CN(C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.42
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL5159289 1.00 TACR1 (0.42) TACR1KCNH2
SCHEMBL5159333 0.90 TACR1 (0.43) TACR1
SCHEMBL5161184 0.89 TACR1 (0.42) TACR1
SCHEMBL5159230 0.89 TACR1 (0.42) TACR1
SCHEMBL5177861 0.85 TACR1 (0.45) TACR1
SCHEMBL5162578 0.85 TACR1 (0.42) TACR1KCNH2
SCHEMBL5177265 0.85 TACR1 (0.42) TACR1KCNH2
SCHEMBL5162610 0.85 TACR1 (0.42) TACR1KCNH2
SCHEMBL5159079 0.85 TACR1 (0.42) TACR1KCNH2
SCHEMBL5164229 0.83 TACR1 (0.44) TACR1KCNH2

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-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 — — US claimed