SCHEMBL6989537

SCHEMBL6989537

O=C(Nc1ccc(C(=O)N2CCCC(=O)c3sccc32)cc1Cl)c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.55
AVPR2 P30518 6/20 0.55
AVPR1B P47901 3/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PYGL P06737 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6990759 0.89 AVPR1A (0.68) AVPR1AAVPR2AVPR1BKMT2A
SCHEMBL6995228 0.86 AVPR2 (0.51) AVPR1AAVPR2AVPR1BNPC1RAB9A
SCHEMBL6991988 0.86 AVPR1A (0.56) AVPR1AAVPR2AVPR1B
SCHEMBL6996850 0.84 LMNA (0.51) AVPR1AAVPR2AVPR1BKMT2A
SCHEMBL6987523 0.84 AVPR2 (0.56) AVPR1AAVPR2AVPR1BNPC1RAB9A
SCHEMBL6985550 0.83 AVPR2 (0.47) AVPR1AAVPR2AVPR1BALDH1A1KMT2A
SCHEMBL8796709 0.77 AVPR1A (0.70) AVPR1AAVPR2AVPR1B
SCHEMBL6988983 0.76 AVPR1A (0.79) AVPR1AAVPR2AVPR1BKMT2A
SCHEMBL6987427 0.73 AVPR1A (0.59) AVPR1AAVPR2AVPR1BNPC1RAB9A
SCHEMBL6995599 0.72 AVPR1A (0.56) AVPR1AAVPR2AVPR1BNPC1RAB9A

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