SCHEMBL7973561

SCHEMBL7973561

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1c(C)c(N1C(=O)c3ccccc3C1=O)n2C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.38
AVPR1A P37288 7/20 0.38
AVPR1B P47901 7/20 0.38
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MTTP P55157 2/20 0.32
TACR1 P25103 1/20 0.32
BRPF1 P55201 1/20 0.32
MAP3K7 O43318 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
SCHEMBL7962351 0.88 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMEN1USP2
SCHEMBL7973515 0.86 AVPR2 (0.37) AVPR2AVPR1AAVPR1BRXFP1MEN1
SCHEMBL7966876 0.84 AVPR2 (0.36) AVPR2AVPR1AAVPR1BRXFP1MEN1
SCHEMBL7966310 0.84 AVPR2 (0.37) AVPR2AVPR1AAVPR1BRXFP1MEN1
SCHEMBL7964892 0.83 AVPR2 (0.35) AVPR2AVPR1AAVPR1BRXFP1MEN1
SCHEMBL7973552 0.83 AVPR2 (0.35) AVPR2AVPR1AAVPR1BRXFP1MEN1
SCHEMBL7967297 0.83 AVPR2 (0.35) AVPR2AVPR1AAVPR1BRXFP1MEN1
SCHEMBL7374548 0.83 AVPR2 (0.51) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL7339504 0.83 AVPR2 (0.43) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7971950 0.82 AVPR2 (0.41) AVPR2AVPR1AAVPR1BMAP3K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed