SCHEMBL7475627

SCHEMBL7475627

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1nc(N1CCC(N(C)C)CC1)n2C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.41
AVPR1A P37288 5/20 0.41
AVPR1B P47901 5/20 0.41
MAP3K7 O43318 4/20 0.37
MAP4K1 Q92918 1/20 0.36
PTK2 Q05397 3/20 0.34
AURKA O14965 1/20 0.34
TTK P33981 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7962075 0.91 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
Hydrochloric Acid SCHEMBL7954696 0.91 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7481243 0.89 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7PTK2
SCHEMBL7966800 0.89 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
Hydrochloric Acid SCHEMBL7961884 0.89 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7PTK2
Hydrochloric Acid SCHEMBL7483860 0.88 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7970647 0.87 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7966116 0.87 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7PTK2
Hydrochloric Acid SCHEMBL7954456 0.87 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7975598 0.86 HDAC8 (0.44) AVPR2AVPR1AAVPR1BMAP3K7RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed