SCHEMBL6972433

SCHEMBL6972433

CCOC(=O)CN1C(=O)CC(C)N(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)cc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.54
AVPR1A P37288 9/20 0.41
MAPT P10636 1/20 0.40
OXTR P30559 1/20 0.40
CYP2C9 P11712 1/20 0.40
CCKBR P32239 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6965490 0.90 AVPR2 (0.46) AVPR2AVPR1AOXTR
SCHEMBL6964840 0.85 AVPR2 (0.47) AVPR2AVPR1AOXTRCYP2C9CCKBR
SCHEMBL6971296 0.84 AVPR2 (0.65) AVPR2AVPR1AOXTR
SCHEMBL6971564 0.83 AVPR2 (0.54) AVPR2AVPR1AOXTRALDH1A1
SCHEMBL6969981 0.81 AVPR2 (0.61) AVPR2AVPR1AOXTRCYP2C9
SCHEMBL6973411 0.79 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL6970545 0.79 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL6958744 0.79 ALDH1A1 (0.49) MAPTALDH1A1
SCHEMBL6959609 0.78 AVPR2 (0.50) AVPR2AVPR1AOXTRCYP2C9
SCHEMBL6964828 0.78 AVPR2 (0.57) AVPR2AVPR1AOXTR

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