SCHEMBL7376100

SCHEMBL7376100

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3OCCCN)cc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MTTP P55157 5/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
NOD2 Q9HC29 1/20 0.38
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
AVPR1B P47901 1/20 0.37
MCHR1 Q99705 1/20 0.37
MELK Q14680 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL7373482 0.92 ALDH1A1 (0.44) ALDH1A1MTTPGAAMAPTNPC1
SCHEMBL8812151 0.91 GAA (0.41) ALDH1A1MTTPGAAMAPTCTDSP1
SCHEMBL7368067 0.89 RECQL (0.45) ALDH1A1GAAMAPTRAB9AAVPR2
SCHEMBL7372810 0.89 ALDH1A1 (0.44) ALDH1A1MTTPMAPTNPC1RAB9A
SCHEMBL7378355 0.86 RECQL (0.44) ALDH1A1GAAMAPTRAB9AAVPR2
SCHEMBL7375925 0.86 MTTP (0.40) ALDH1A1MTTPGAAMAPTCTDSP1
SCHEMBL7377742 0.85 RECQL (0.43) ALDH1A1GAAMAPTAVPR2AVPR1A
SCHEMBL7368867 0.85 KDM4E (0.43) ALDH1A1MTTPGAAMAPTNPC1
SCHEMBL7368434 0.84 ALDH1A1 (0.52) ALDH1A1MTTPGAAMAPTL3MBTL1
SCHEMBL7371827 0.84 AVPR2 (0.42) ALDH1A1MTTPGAAAVPR2AVPR1A

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
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed