SCHEMBL8562470

SCHEMBL8562470

Cc1cc(NC(=O)c2c(Cl)cccc2Cl)ccc1C(=O)N1c2ccccc2CNc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.40
AVPR1A P37288 7/20 0.40
TYK2 P29597 5/20 0.39
TOP1 P11387 1/20 0.38
PTGS2 P35354 1/20 0.38
JAK2 O60674 3/20 0.38
JAK1 P23458 2/20 0.38

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
SCHEMBL8564681 0.92 AVPR2 (0.42) AVPR2AVPR1ATYK2JAK2JAK1
SCHEMBL8561944 0.88 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL8557947 0.87 AVPR2 (0.53) AVPR2AVPR1A
SCHEMBL8558202 0.86 HTR1F (0.51) AVPR2AVPR1A
SCHEMBL8559231 0.86 AVPR2 (0.49) AVPR2AVPR1ATYK2JAK2JAK1
SCHEMBL8560074 0.86 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL8562699 0.85 AVPR2 (0.39) AVPR2AVPR1A
SCHEMBL8556938 0.84 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL8557265 0.84 AVPR2 (0.58) AVPR2AVPR1ATOP1PTGS2
SCHEMBL8564133 0.84 AVPR2 (0.49) 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
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed