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Sugi Predict / Compounds / Cyclopropane

Cyclopropane

Cyclopropane

SCHEMBL5759250

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

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 15/20 0.64
▸ CYP3A4 P08684 2/20 0.62
▸ GPBAR1 Q8TDU6 5/20 0.61
▸ TACR3 P29371 3/20 0.59

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
SCHEMBL5760126 0.91 TACR1 (0.66) TACR1CYP3A4GPBAR1TACR3
SCHEMBL5778450 0.88 TACR1 (0.63) TACR1CYP3A4GPBAR1TACR3
Cyclopropane SCHEMBL5760657 0.87 TACR1 (0.66) TACR1CYP3A4GPBAR1TACR3
SCHEMBL5758720 0.85 TACR1 (0.65) TACR1CYP3A4GPBAR1TACR3
SCHEMBL6634782 0.85 TACR1 (0.64) TACR1CYP3A4GPBAR1TACR3
SCHEMBL6636504 0.85 TACR1 (0.61) TACR1CYP3A4GPBAR1TACR3
SCHEMBL5758248 0.84 TACR1 (0.82) TACR1CYP3A4GPBAR1TACR3
SCHEMBL1871566 0.84 TACR1 (0.62) TACR1CYP3A4GPBAR1TACR3
SCHEMBL1876641 0.84 TACR1 (0.65) TACR1CYP3A4GPBAR1TACR3
SCHEMBL5781261 0.84 TACR1 (0.62) 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