Sugi Predict

Sugi Predict / Compounds / SCHEMBL5199780

SCHEMBL5199780

SCHEMBL5199780

CC(=O)N(C)C1CCC(C(=O)N2CC[C@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccccc3)C2)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.64
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 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
SCHEMBL5199778 1.00 TACR1 (0.64) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5199128 0.94 TACR1 (0.62) TACR1
SCHEMBL5200273 0.92 TACR1 (0.59) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5200278 0.92 TACR1 (0.59) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5198053 0.90 TACR1 (0.63) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5198044 0.90 TACR1 (0.63) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5199741 0.90 TACR1 (0.67) TACR1
SCHEMBL5199745 0.90 TACR1 (0.67) TACR1
SCHEMBL5197932 0.89 TACR1 (0.64) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5197467 0.89 TACR1 (0.77) TACR1CYP3A4CYP2D6CYP2C9

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
EP-1790636-A1 PIPERIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-05-30 — — EP disclosed