SCHEMBL7424272

SCHEMBL7424272

Cc1cn(-c2ccc(C(=O)N3C=C4CC=CN4Cc4ccccc43)c(Cl)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.50
AVPR1A P37288 4/20 0.40
OXTR P30559 4/20 0.40
F9 P00740 2/20 0.37
USP30 Q70CQ3 2/20 0.34
NOTUM Q6P988 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL7632997 0.88 AVPR2 (0.41) AVPR2AVPR1AOXTRUSP30
SCHEMBL7421754 0.79 AVPR2 (0.50) AVPR2AVPR1AOXTR
SCHEMBL7420622 0.79 AVPR2 (0.43) AVPR2AVPR1AOXTR
SCHEMBL7422271 0.77 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL7638228 0.74 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL7421267 0.74 AVPR2 (0.38) AVPR2AVPR1AOXTR
SCHEMBL6622674 0.73 AVPR2 (0.72) AVPR2AVPR1AOXTR
SCHEMBL6623658 0.72 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL7422025 0.72 AVPR2 (0.42) AVPR2AVPR1AOXTR
SCHEMBL7635179 0.71 LMNA (0.55) AVPR2

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