SCHEMBL7424683

SCHEMBL7424683

O=C(c1ccc(-c2ccn(C(=O)c3ccccc3-c3ccccc3)n2)cc1)N1C=C2CC=CN2Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.37
AVPR1A P37288 11/20 0.37
OXTR P30559 2/20 0.36
SCN9A Q15858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
TSHR P16473 1/20 0.32
RECQL P46063 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
SCHEMBL7420705 0.85 AVPR2 (0.33) AVPR2AVPR1ASCN9AKDM4ENPC1
SCHEMBL7416534 0.77 AVPR2 (0.32) AVPR2AVPR1AOXTRKMT2A
SCHEMBL5229778 0.77 FFAR2 (0.42) KMT2A
SCHEMBL7424072 0.75 AVPR1A (0.34) AVPR2AVPR1ANPC1HPGDRAB9A
SCHEMBL6624224 0.74 AVPR1A (0.70) AVPR2AVPR1A
SCHEMBL7422271 0.74 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL7420578 0.73 ADORA3 (0.35) AVPR2AVPR1ANPC1HPGDRAB9A
SCHEMBL7416560 0.73 AVPR1A (0.36) AVPR2AVPR1AOXTRNPC1HPGD
SCHEMBL7549935 0.72 BCAT2 (0.34) AVPR2AVPR1AOXTRKDM4ENPC1
SCHEMBL7419949 0.72 NR1H4 (0.35) AVPR2AVPR1AOXTRALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216045-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS American Cynamid Company (US) 2002-06-26 EP claimed
WO-2001022969-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS AMERICAN CYNAMID COMPANY (US) 2001-04-05 WO claimed
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