SCHEMBL8961732

SCHEMBL8961732

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3C)c(OC)c2)c2ccc(C)cc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.47
AVPR1B P47901 7/20 0.47
AVPR2 P30518 9/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ACHE P22303 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
SCHEMBL6970232 0.96 AVPR1A (0.47) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6959303 0.92 AVPR1A (0.52) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6970362 0.91 AVPR1A (0.49) AVPR1AAVPR1BAVPR2ALDH1A1MAPT
SCHEMBL6969281 0.89 AVPR1A (0.51) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6967087 0.89 AVPR1A (0.47) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6968185 0.88 AVPR1A (0.54) AVPR1AAVPR1BAVPR2
SCHEMBL6960384 0.87 AVPR2 (0.43) AVPR1AAVPR1BAVPR2TP53ALDH1A1
SCHEMBL6971739 0.87 AVPR1A (0.50) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6971642 0.86 AVPR2 (0.50) AVPR1AAVPR1BAVPR2TP53ALDH1A1
SCHEMBL9414294 0.85 AVPR1A (0.47) AVPR1AAVPR1BAVPR2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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