SCHEMBL7422271

SCHEMBL7422271

Cn1ccc(-c2ccc(C(=O)N3C=C4CC=CN4Cc4ccccc43)c(Cl)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.52
AVPR1A P37288 8/20 0.52
OXTR P30559 4/20 0.38
P2RX7 Q99572 1/20 0.35
IDH1 O75874 1/20 0.33

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
SCHEMBL7421754 0.81 AVPR2 (0.50) AVPR2AVPR1AOXTRP2RX7
SCHEMBL7420622 0.81 AVPR2 (0.43) AVPR2AVPR1AOXTR
SCHEMBL7424272 0.77 AVPR2 (0.50) AVPR2AVPR1AOXTR
SCHEMBL7421267 0.76 AVPR2 (0.38) AVPR2AVPR1AOXTR
SCHEMBL7422025 0.74 AVPR2 (0.42) AVPR2AVPR1AOXTRP2RX7
SCHEMBL7424683 0.74 AVPR2 (0.37) AVPR2AVPR1AOXTR
SCHEMBL6623356 0.73 AVPR2 (0.65) AVPR2AVPR1AOXTR
SCHEMBL7404580 0.73 AVPR2 (0.44) AVPR2AVPR1AP2RX7IDH1
SCHEMBL7420705 0.73 AVPR2 (0.33) AVPR2AVPR1AIDH1
SCHEMBL7638228 0.73 AVPR2 (0.57) AVPR2AVPR1AOXTR

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-1000062-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP claimed
WO-1999006409-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO claimed