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Sugi Predict / Compounds / Cyclopropane

Cyclopropane

Cyclopropane

SCHEMBL5760657

C1CC1.Cc1ccccc1-c1cc(N(C)C(=O)O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 14/20 0.66
▸ CYP3A4 P08684 2/20 0.64
▸ GPBAR1 Q8TDU6 6/20 0.59
▸ TACR3 P29371 3/20 0.58

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
SCHEMBL5759977 0.89 TACR1 (0.70) TACR1CYP3A4GPBAR1TACR3
SCHEMBL6634454 0.89 TACR1 (0.72) TACR1CYP3A4GPBAR1TACR3
Cyclopropane SCHEMBL5783691 0.88 TACR1 (0.62) TACR1CYP3A4TACR3
Cyclopropane SCHEMBL5759250 0.87 TACR1 (0.64) TACR1CYP3A4GPBAR1TACR3
SCHEMBL5782134 0.86 TACR1 (0.66) TACR1CYP3A4GPBAR1TACR3
SCHEMBL5781472 0.85 TACR1 (0.72) TACR1CYP3A4GPBAR1TACR3
SCHEMBL30376925 0.84 GPBAR1 (0.76) TACR1CYP3A4GPBAR1TACR3
SCHEMBL337006 0.84 GPBAR1 (0.76) TACR1CYP3A4GPBAR1TACR3
SCHEMBL5758941 0.84 GPBAR1 (0.76) TACR1CYP3A4GPBAR1TACR3
SCHEMBL30646397 0.84 TACR1 (0.71) TACR1CYP3A4GPBAR1TACR3

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-1305319-B1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-04-05 — — EP claimed