SCHEMBL7973515

SCHEMBL7973515

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1cc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.37
AVPR1A P37288 4/20 0.37
AVPR1B P47901 4/20 0.37
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP3K7 O43318 4/20 0.33
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
JAK2 O60674 1/20 0.33
EPHX2 P34913 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL7475346 0.93 MAP3K7 (0.32) AVPR2AVPR1AAVPR1BMAP3K7RXFP1
SCHEMBL7964892 0.92 AVPR2 (0.35) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7962351 0.90 AVPR2 (0.37) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7967301 0.88 AVPR2 (0.35) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7966310 0.87 AVPR2 (0.37) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7968223 0.87 AVPR2 (0.40) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7971950 0.87 AVPR2 (0.41) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7973561 0.86 AVPR2 (0.38) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7965888 0.86 AVPR2 (0.39) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7962073 0.85 AVPR2 (0.38) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2

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