SCHEMBL6969947

SCHEMBL6969947

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)cc2)c2ccc(Cl)cc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.58
AVPR1A P37288 9/20 0.51
CYP2C9 P11712 1/20 0.50
OXTR P30559 1/20 0.44
AVPR1B P47901 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6973411 0.94 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6971296 0.92 AVPR2 (0.65) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6969981 0.91 AVPR2 (0.61) AVPR2AVPR1ACYP2C9OXTRAVPR1B
SCHEMBL6970545 0.91 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6965369 0.91 AVPR2 (0.54) AVPR2AVPR1ACYP2C9OXTRAVPR1B
SCHEMBL6967409 0.91 AVPR2 (0.48) AVPR2AVPR1ACYP2C9OXTRAVPR1B
SCHEMBL6964643 0.91 AVPR2 (0.57) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6957268 0.89 AVPR2 (0.56) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6971739 0.89 AVPR1A (0.50) AVPR2AVPR1ACYP2C9AVPR1BALDH1A1
SCHEMBL6972761 0.87 AVPR2 (0.52) AVPR2AVPR1ACYP2C9OXTRAVPR1B

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