SCHEMBL9059936

SCHEMBL9059936

O=C(Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3ncccc32)cn1)c1cc(Cl)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.46
AVPR1A P37288 1/20 0.41
F10 P00742 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5235967 0.91 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL5239063 0.85 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL5234869 0.85 AVPR2 (0.64) AVPR2AVPR1AF10
SCHEMBL9059603 0.84 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL9061754 0.83 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL5238090 0.78 AVPR2 (0.57) AVPR2AVPR1ASMN1; SMN2
SCHEMBL7337329 0.77 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL7335574 0.77 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL5239585 0.76 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL7335693 0.76 AVPR2 (0.53) AVPR2AVPR1A

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
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed