SCHEMBL5269822

SCHEMBL5269822

O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2cn[nH]c2-c2sccc21

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.61
AVPR1A P37288 2/20 0.50
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
DRD4 P21917 1/20 0.37
DRD2 P14416 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL5236886 0.86 AVPR2 (0.64) AVPR2AVPR1ALMNA
SCHEMBL9059366 0.85 AVPR2 (0.61) AVPR2AVPR1AMAPTHPGDALDH1A1
SCHEMBL8818791 0.83 AVPR2 (0.51) AVPR2MAPTNPC1LMNAHTT
SCHEMBL5232606 0.80 KMT2A (0.43) AVPR2AVPR1AMAPTNPC1LMNA
SCHEMBL5233202 0.76 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL5236617 0.76 AVPR1A (0.55) AVPR2AVPR1AMAPTNPC1LMNA
SCHEMBL5233480 0.75 KMT2A (0.39) AVPR2AVPR1AMAPTNPC1LMNA
SCHEMBL5233477 0.75 KMT2A (0.39) AVPR2AVPR1AMAPTNPC1LMNA
SCHEMBL5235169 0.75 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL5233013 0.74 AVPR2 (0.64) AVPR2AVPR1AMAPTNPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 EP disclosed
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed