SCHEMBL7338552

SCHEMBL7338552

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCC(=O)CC2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.36
AVPR1A P37288 3/20 0.36
AVPR1B P47901 3/20 0.36
DRD2 P14416 4/20 0.35
SIGMAR1 Q99720 1/20 0.35
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7343339 0.93 AVPR2 (0.39) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7342198 0.93 RXFP1 (0.39) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7340542 0.93 AVPR2 (0.37) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7338448 0.93 AVPR2 (0.37) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7336926 0.92 AVPR2 (0.37) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7339138 0.92 AVPR2 (0.43) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7778595 0.91 AVPR2 (0.42) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7337083 0.91 AVPR2 (0.43) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7339388 0.90 AVPR2 (0.42) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7337787 0.89 ALDH1A1 (0.41) ADRA1DADRA1AADRA1BTP53GAA

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-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
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed