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Sugi Predict / Compounds / SCHEMBL13627759

SCHEMBL13627759

SCHEMBL13627759

Cc1cc(F)ccc1[C@H]1C[C@@H](NC(=O)C[S+](C)[O-])CCN1C(=O)N(C)[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 19/20 0.75
▸ SIGMAR1 Q99720 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ PTAFR P25105 1/20 0.60

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
SCHEMBL13627709 0.89 TACR1 (0.79) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL13627703 0.89 TACR1 (0.78) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL13627708 0.89 TACR1 (0.78) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL3154625 0.88 TACR1 (0.80) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL13627770 0.88 TACR1 (0.77) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL13451678 0.88 TACR1 (0.84) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL13627766 0.87 TACR1 (0.76) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL13627701 0.87 TACR1 (0.86) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL13451405 0.87 TACR1 (0.86) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL3158455 0.86 TACR1 (0.82) TACR1SIGMAR1CYP3A4PTAFR

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-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 — — US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 — — US disclosed