SCHEMBL7339013

SCHEMBL7339013

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCC(N(C)C)CC2)ccc1NC(=O)c1cccc(OCCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38
AVPR1B P47901 1/20 0.38
ABL1 P00519 1/20 0.37
FYN P06241 1/20 0.37
SRC P12931 1/20 0.37
PTK6 Q13882 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTK2 Q05397 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
EPHX2 P34913 1/20 0.34
CCR8 P51685 1/20 0.33
PRKAA2 P54646 1/20 0.33

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
SCHEMBL8673448 0.93 ABL1 (0.36) AVPR2AVPR1AAVPR1BABL1FYN
SCHEMBL7339138 0.91 AVPR2 (0.43) AVPR2AVPR1AAVPR1BABL1FYN
Hydrochloric Acid SCHEMBL7336979 0.89 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7342434 0.87 AVPR2 (0.42) AVPR2AVPR1AAVPR1BKMT2ACCR8
SCHEMBL7337083 0.87 AVPR2 (0.43) AVPR2AVPR1AAVPR1BABL1FYN
SCHEMBL7340542 0.86 AVPR2 (0.37) AVPR2AVPR1AAVPR1BKMT2ASUV39H2
SCHEMBL7338448 0.86 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7339652 0.86 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7336926 0.85 AVPR2 (0.37) AVPR2AVPR1AAVPR1BKMT2ASUV39H2
SCHEMBL7337499 0.85 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMEN1KMT2A

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