SCHEMBL7474290

SCHEMBL7474290

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(O)nc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 4/20 0.37
IRAK4 Q9NWZ3 2/20 0.33
AVPR2 P30518 3/20 0.33
AVPR1A P37288 3/20 0.33
AVPR1B P47901 3/20 0.33
DHODH Q02127 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PTK2 Q05397 1/20 0.31
DYRK1A Q13627 1/20 0.31
EGFR P00533 1/20 0.31
KDR P35968 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
SCHEMBL7975461 0.95 MAP3K7 (0.37) MAP3K7IRAK4AVPR2AVPR1AAVPR1B
SCHEMBL7473083 0.94 MAP3K7 (0.37) MAP3K7IRAK4AVPR2AVPR1AAVPR1B
SCHEMBL7597522 0.94 MAP3K7 (0.36) MAP3K7IRAK4AVPR2AVPR1AAVPR1B
SCHEMBL7954153 0.93 MAP3K7 (0.37) MAP3K7IRAK4AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7965629 0.93 MAP3K7 (0.36) MAP3K7IRAK4AVPR2AVPR1AAVPR1B
SCHEMBL7480369 0.93 MAP3K7 (0.36) MAP3K7IRAK4AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7966670 0.93 MAP3K7 (0.37) MAP3K7IRAK4AVPR2AVPR1AAVPR1B
SCHEMBL7978139 0.93 MAP3K7 (0.36) MAP3K7IRAK4AVPR2AVPR1AAVPR1B
SCHEMBL7964812 0.93 MAP3K7 (0.36) MAP3K7IRAK4AVPR2AVPR1AAVPR1B
SCHEMBL7596836 0.93 MAP3K7 (0.36) MAP3K7IRAK4AVPR2AVPR1AAVPR1B

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