SCHEMBL27600014

SCHEMBL27600014

NCc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1C1=CCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.52
AVPR2 P30518 10/20 0.52

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
SCHEMBL5118045 0.86 AVPR1A (0.62) AVPR1AAVPR2
SCHEMBL6628771 0.83 AVPR2 (0.58) AVPR1AAVPR2
SCHEMBL6068810 0.83 AVPR1A (0.69) AVPR1AAVPR2
SCHEMBL27600016 0.80 AVPR1A (0.61) AVPR1AAVPR2
SCHEMBL1344249 0.78 AVPR1A (0.64) AVPR1AAVPR2
SCHEMBL3559138 0.76 AVPR1A (0.66) AVPR1AAVPR2
SCHEMBL6068902 0.76 AVPR2 (0.64) AVPR1AAVPR2
SCHEMBL3535343 0.74 AVPR1A (0.78) AVPR1AAVPR2
SCHEMBL6069111 0.73 AVPR2 (0.54) AVPR1AAVPR2
SCHEMBL3583097 0.73 AVPR1A (0.69) AVPR1AAVPR2

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
CN-1501935-A Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators 2004-06-02 CN disclosed
CN-1501933-A Novel 10-cyclohexenylpyrrolobenzodiazepines * -3-carboxamides and derivatives thereof; tocolytic oxytocin receptor antagonists 2004-06-02 CN disclosed