Sugi Predict

Sugi Predict / Compounds / Cyclopropane

Cyclopropane

Cyclopropane

SCHEMBL18917276

C1CC1.Cc1ccc2c(c1)Nc1c(cnn1C)CN2C(=O)c1ccc(CNC(=O)O)cc1Cl

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 17/20 0.53
▸ OXTR P30559 12/20 0.53
▸ AVPR2 P30518 7/20 0.53
▸ TSPO P30536 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ OPRK1 P41145 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 SCHEMBL18917222 0.94 AVPR1A (0.53) AVPR1AOXTRAVPR2TSPOCHRM2
Cyclopropane SCHEMBL18917265 0.92 AVPR1A (0.51) AVPR1AOXTRAVPR2TSPOCHRM2
Cyclopropane SCHEMBL18917217 0.90 AVPR1A (0.45) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2134168 0.90 AVPR1A (0.51) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2705085 0.88 AVPR1A (0.56) AVPR1AOXTRAVPR2TSPO
Cyclopropane SCHEMBL18917219 0.87 AVPR1A (0.50) AVPR1AOXTRAVPR2CHRM2CHRM4
Cyclopropane SCHEMBL18917240 0.86 AVPR1A (0.46) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4333628 0.84 AVPR1A (0.48) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2703602 0.84 AVPR1A (0.48) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2129600 0.84 AVPR1A (0.46) 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