SCHEMBL2596229

SCHEMBL2596229

Cc1onc(C2CCC(Cl)(c3ccc4c(c3)CN(C(=O)OC(C)(C)C)Cc3nncn3-4)CC2)c1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
ESR2 Q92731 1/20 0.30

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
SCHEMBL2586133 0.86 AVPR1A (0.33) OXTRAVPR1ADDB1CRBNGPR119
SCHEMBL2550063 0.86 NAMPT (0.40) OXTRAVPR1ADDB1CRBNGPR119
SCHEMBL2587030 0.86 GPR119 (0.32) OXTRAVPR1ADDB1CRBNGPR119
SCHEMBL2538175 0.86 HTR2A (0.39)
SCHEMBL2580027 0.85 DDB1 (0.36) OXTRAVPR1ADDB1CRBNGPR119
SCHEMBL2580235 0.85 OXTR (0.34) OXTRAVPR1ADDB1CRBNGPR119
SCHEMBL2579657 0.85 OXTR (0.36) OXTRAVPR1ADDB1CRBNGPR119
SCHEMBL2565485 0.84 FNTA (0.37) OXTRAVPR1ADDB1CRBNGPR119
SCHEMBL2574746 0.84 OXTR (0.34) OXTRAVPR1ADDB1CRBNGPR119
SCHEMBL2579958 0.84 OXTR (0.34) OXTRAVPR1ADDB1CRBNGPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO disclosed