SCHEMBL7345595

SCHEMBL7345595

Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccccc3OCCCNC(=O)OC(C)(C)C)cc2N)c(OCCCCCC(=O)N2CCC(N(C)C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.34
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34
AVPR1B P47901 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
WDR5 P61964 1/20 0.33
DRD2 P14416 1/20 0.32
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
Hydrochloric Acid SCHEMBL7342240 0.89 AVPR2 (0.37) RXFP1AVPR2AVPR1AAVPR1BHDAC3
SCHEMBL7339160 0.87 AVPR2 (0.37) RXFP1AVPR2AVPR1AAVPR1BSIGMAR1
SCHEMBL7339138 0.87 AVPR2 (0.43) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7338917 0.87 AVPR2 (0.38) RXFP1AVPR2AVPR1AAVPR1BKDM4E
SCHEMBL7337499 0.87 AVPR2 (0.40) RXFP1AVPR2AVPR1AAVPR1BSIGMAR1
SCHEMBL7339161 0.86 CDK1 (0.35) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7335754 0.84 SIGMAR1 (0.40) RXFP1AVPR2AVPR1ASIGMAR1WDR5
SCHEMBL7337083 0.83 AVPR2 (0.43) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7336926 0.82 AVPR2 (0.37) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7340542 0.82 AVPR2 (0.37) AVPR2AVPR1AAVPR1BSIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed