SCHEMBL7337544

SCHEMBL7337544

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccccc1SCCCN

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.40
AVPR1A P37288 5/20 0.40
AVPR1B P47901 5/20 0.40
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAP3K7 O43318 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
CCR8 P51685 1/20 0.34

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
SCHEMBL7337579 0.92 AVPR2 (0.34) AVPR2AVPR1AAVPR1BTDP1MAP3K7
SCHEMBL7336265 0.91 AVPR2 (0.42) AVPR2AVPR1AAVPR1BL3MBTL1MAP3K7
SCHEMBL7336166 0.91 AVPR2 (0.42) AVPR2AVPR1AAVPR1BL3MBTL1MAP3K7
Hydrochloric Acid SCHEMBL7773784 0.91 AVPR2 (0.42) AVPR2AVPR1AAVPR1BL3MBTL1MAP3K7
Hydrochloric Acid SCHEMBL7335182 0.91 AVPR2 (0.42) AVPR2AVPR1AAVPR1BL3MBTL1MAP3K7
Hydrochloric Acid SCHEMBL7345642 0.91 AVPR2 (0.42) AVPR2AVPR1AAVPR1BL3MBTL1MAP3K7
SCHEMBL7338927 0.89 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7ALDH1A1
Sulfuric Acid SCHEMBL7344173 0.89 AVPR2 (0.41) AVPR2AVPR1AAVPR1BMAP3K7CCR8
SCHEMBL7340231 0.89 AVPR2 (0.45) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7346393 0.88 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed