SCHEMBL7419308

SCHEMBL7419308

Cc1ccn(-c2ncc(C(=O)N3C=C4CC=CN4Cc4ccccc43)c(C(F)(F)F)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.44
AVPR1A P37288 5/20 0.36
OXTR P30559 3/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
NTRK1 P04629 1/20 0.32
NR1H2 P55055 2/20 0.30
SMO Q99835 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL7423883 0.82 NFKB1 (0.42) AVPR2AVPR1AOXTRHCRTR1HCRTR2
SCHEMBL7638228 0.78 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL6624608 0.76 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL6623658 0.75 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL7632997 0.70 AVPR2 (0.41) AVPR2AVPR1AOXTR
SCHEMBL7417501 0.69 AVPR2 (0.40) AVPR2AVPR1AOXTRHCRTR1HCRTR2
SCHEMBL7582976 0.69 AVPR2 (0.42) AVPR2AVPR1AOXTR
SCHEMBL7421267 0.68 AVPR2 (0.38) AVPR2AVPR1AOXTR
SCHEMBL7422025 0.68 AVPR2 (0.42) AVPR2AVPR1AOXTRKDM4E
SCHEMBL7422271 0.67 AVPR2 (0.52) 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