SCHEMBL6964131

SCHEMBL6964131

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(CC(=O)O)c3ccccc32)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
AVPR1A P37288 4/20 0.40
AVPR2 P30518 2/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
HCAR3 P49019 1/20 0.39
MAPT P10636 1/20 0.39
KCNMA1 Q12791 1/20 0.39
AVPR1B P47901 2/20 0.39
CDC25B P30305 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
SCHEMBL6970606 0.91 AVPR2 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2AVPR1A
SCHEMBL6971575 0.90 AVPR2 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2AVPR1A
SCHEMBL6972648 0.88 AVPR2 (0.49) AVPR1AAVPR2LMNAAVPR1B
SCHEMBL6960071 0.86 AVPR1A (0.53) ALDH1A1AVPR1AAVPR2AVPR1B
SCHEMBL6966646 0.84 AVPR1A (0.56) AVPR1AAVPR2
SCHEMBL8961719 0.82 AVPR2 (0.47) AVPR1AAVPR2POLBLMNAMAPT
SCHEMBL6972475 0.81 AVPR2 (0.48) ALDH1A1AVPR1AAVPR2AVPR1B
SCHEMBL6969281 0.81 AVPR1A (0.51) AVPR1AAVPR2LMNAAVPR1B
SCHEMBL9414267 0.80 AVPR2 (0.40) MEN1KMT2AALDH1A1AVPR1AAVPR2
SCHEMBL6960416 0.79 AVPR1A (0.55) AVPR1AAVPR2AVPR1B

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-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed