Sugi Predict

Sugi Predict / Compounds / Cyclopropane

Cyclopropane

Cyclopropane

SCHEMBL18917256

C1CC1.Cn1ncc2c1Nc1cc(F)ccc1N(C(=O)c1ccc(CNC(=O)O)c(F)c1)C2

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 17/20 0.58
▸ OXTR P30559 12/20 0.56
▸ AVPR2 P30518 9/20 0.50
▸ CHRM2 P08172 1/20 0.48
▸ CHRM4 P08173 1/20 0.48
▸ CHRM5 P08912 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ P2RX7 Q99572 1/20 0.36

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
Cyclopentane SCHEMBL18917216 0.94 AVPR1A (0.58) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18917274 0.94 AVPR1A (0.58) AVPR1AOXTRAVPR2CHRM2CHRM4
Cyclopropane SCHEMBL18917282 0.94 AVPR1A (0.58) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18917285 0.92 AVPR1A (0.57) AVPR1AOXTRAVPR2CHRM2CHRM4
Cyclopropane SCHEMBL18917253 0.92 AVPR1A (0.57) AVPR1AOXTRAVPR2CHRM2CHRM4
Cyclopentane SCHEMBL18917283 0.92 AVPR1A (0.57) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2130780 0.90 AVPR1A (0.56) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2128860 0.90 AVPR1A (0.56) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2133499 0.89 AVPR1A (0.54) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2703856 0.87 AVPR1A (0.52) AVPR1AOXTRAVPR2CHRM2CHRM4

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-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 — — EP claimed