SCHEMBL5233449

SCHEMBL5233449

O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2cn[nH]c2-c2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.44
HPGD P15428 1/20 0.43
HTR2C P28335 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38
STING1 Q86WV6 1/20 0.38
F12 P00748 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL5237499 0.87 CRBN (0.46) CRBNHPGDALDH1A1AVPR2AVPR1A
SCHEMBL7314107 0.85 HPGD (0.44) HPGDHTR2CALDH1A1MAPTL3MBTL1
SCHEMBL5236789 0.79 KMT2A (0.44) HPGDALDH1A1MAPTL3MBTL1F12
SCHEMBL9059366 0.75 AVPR2 (0.61) HPGDALDH1A1MAPTL3MBTL1AVPR2
SCHEMBL7319146 0.74 AVPR2 (0.48) CRBNAVPR2AVPR1A
SCHEMBL5232579 0.74 MAPT (0.39) CRBNHPGDALDH1A1MAPTL3MBTL1
SCHEMBL5232572 0.74 MAPT (0.39) CRBNHPGDALDH1A1MAPTL3MBTL1
SCHEMBL20618356 0.72 KCNJ1 (0.42) CRBNHPGDALDH1A1MAPTL3MBTL1
SCHEMBL7337254 0.70 AVPR2 (0.52) CRBNHPGDALDH1A1AVPR2AVPR1A
SCHEMBL8820724 0.70 AVPR2 (0.52) CRBNHPGDALDH1A1L3MBTL1AVPR2

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