Sugi Predict

Sugi Predict / Compounds / Cyclopropane

Cyclopropane

Cyclopropane

SCHEMBL18917265

C1CC1.Cc1ccc2c(c1)Nc1c(cnn1C)CN2C(=O)c1ccc(CNC(=O)O)cc1C

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 19/20 0.51
▸ OXTR P30559 13/20 0.48
▸ AVPR2 P30518 7/20 0.46
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ TSPO P30536 1/20 0.38

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
Cyclopropane SCHEMBL18917217 0.92 AVPR1A (0.45) AVPR1AOXTRAVPR2CHRM2CHRM4
Cyclopropane SCHEMBL18917219 0.92 AVPR1A (0.50) AVPR1AOXTRAVPR2CHRM2CHRM4
Cyclopropane SCHEMBL18917276 0.92 AVPR1A (0.53) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2134411 0.90 AVPR1A (0.49) AVPR1AOXTRAVPR2CHRM2CHRM4
Cyclopropane SCHEMBL18917245 0.85 AVPR1A (0.69) AVPR1AOXTRAVPR2CHRM2CHRM4
Cyclopropane SCHEMBL18917240 0.84 AVPR1A (0.46) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2701942 0.84 AVPR1A (0.53) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2702930 0.84 AVPR1A (0.53) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2130728 0.84 AVPR1A (0.45) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2704823 0.82 AVPR1A (0.45) AVPR1AOXTRAVPR2

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