SCHEMBL7975598

SCHEMBL7975598

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.44
AVPR2 P30518 3/20 0.41
AVPR1A P37288 3/20 0.41
AVPR1B P47901 3/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
MAP3K7 O43318 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ABCB1 P08183 1/20 0.38

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 SCHEMBL7955818 0.99 HDAC8 (0.44) HDAC8AVPR2AVPR1AAVPR1BMAPT
SCHEMBL7969301 0.92 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAPTLMNA
SCHEMBL7968552 0.92 HDAC8 (0.41) HDAC8AVPR2AVPR1AAVPR1BMAPT
Hydrochloric Acid SCHEMBL7955172 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAPTLMNA
SCHEMBL7962075 0.90 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BRAB9AMAP3K7
SCHEMBL7954262 0.89 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7954696 0.89 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BRAB9AMAP3K7
SCHEMBL7338979 0.89 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7425067 0.89 AVPR2 (0.38) AVPR2AVPR1AAVPR1BRAB9AMAP3K7
SCHEMBL7474294 0.89 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4

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