SCHEMBL6995599

SCHEMBL6995599

O=C1CCCN(C(=O)c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2Cl)c2ccsc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.56
AVPR2 P30518 8/20 0.53
TP53 P04637 4/20 0.50
LMNA P02545 3/20 0.50
AVPR1B P47901 1/20 0.48
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OXTR P30559 1/20 0.42

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
SCHEMBL6987427 0.91 AVPR1A (0.59) AVPR1AAVPR2TP53LMNAAVPR1B
SCHEMBL6991662 0.90 AVPR1A (0.58) AVPR1AAVPR2TP53LMNAAVPR1B
SCHEMBL6992837 0.87 AVPR2 (0.57) AVPR1AAVPR2TP53LMNAAVPR1B
SCHEMBL8797156 0.87 AVPR1A (0.73) AVPR1AAVPR2TP53LMNAAVPR1B
SCHEMBL6989777 0.85 AVPR2 (0.58) AVPR1AAVPR2TP53LMNAAVPR1B
SCHEMBL6993364 0.84 AVPR1A (0.57) AVPR1AAVPR2TP53LMNAAVPR1B
SCHEMBL6989072 0.82 AVPR1A (0.55) AVPR1AAVPR2TP53LMNAAVPR1B
SCHEMBL6990759 0.79 AVPR1A (0.68) AVPR1AAVPR2AVPR1BMEN1KMT2A
SCHEMBL8820794 0.79 AVPR2 (0.57) AVPR1AAVPR2TP53NPC1RAB9A
SCHEMBL8796876 0.76 AVPR2 (0.64) AVPR1AAVPR2TP53LMNAAVPR1B

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-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed