SCHEMBL9059366

SCHEMBL9059366

O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2cn[nH]c2-c2sccc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.61
AVPR1A P37288 3/20 0.61
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
STING1 Q86WV6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.37

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
SCHEMBL5233013 0.86 AVPR2 (0.64) AVPR2AVPR1AHPGDALDH1A1SMN1; SMN2
SCHEMBL5269822 0.85 AVPR2 (0.61) AVPR2AVPR1AHPGDALDH1A1MAPT
SCHEMBL7314107 0.80 HPGD (0.44) AVPR2AVPR1AHPGDALDH1A1SMN1; SMN2
SCHEMBL5236885 0.77 ALDH1A1 (0.46) HPGDALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL19454368 0.77 ALDH1A1 (0.43) AVPR2AVPR1AHPGDALDH1A1SMN1; SMN2
SCHEMBL19454365 0.76 ALDH1A1 (0.43) AVPR2AVPR1AHPGDALDH1A1SMN1; SMN2
SCHEMBL7313684 0.75 AVPR2 (0.79) AVPR2AVPR1A
SCHEMBL5233449 0.75 CRBN (0.44) AVPR2AVPR1AHPGDALDH1A1SMN1; SMN2
SCHEMBL22722545 0.75 AVPR2 (0.41) AVPR2AVPR1AHPGDALDH1A1SMN1; SMN2
SCHEMBL19454362 0.74 ALDH1A1 (0.42) AVPR2AVPR1AHPGDALDH1A1SMN1; SMN2

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
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed