SCHEMBL7375232

SCHEMBL7375232

COC(=O)CCCCC=Cc1ccccc1N(C)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
AVPR2 P30518 6/20 0.38
PPARD Q03181 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7375748 1.00 POLB (0.40) POLBGAAAVPR2PPARDL3MBTL1
SCHEMBL7375229 1.00 POLB (0.40) POLBGAAAVPR2PPARDL3MBTL1
SCHEMBL7377221 0.92 PPARD (0.45) POLBGAAAVPR2PPARDL3MBTL1
SCHEMBL7377226 0.92 PPARD (0.45) POLBGAAAVPR2PPARDL3MBTL1
SCHEMBL7368726 0.89 PPARD (0.42) POLBGAAAVPR2PPARDL3MBTL1
SCHEMBL7368727 0.89 PPARD (0.42) POLBGAAAVPR2PPARDL3MBTL1
SCHEMBL7748312 0.88 AVPR2 (0.41) AVPR2NPC1RAB9A
SCHEMBL7367134 0.88 AVPR2 (0.41) AVPR2NPC1RAB9A
SCHEMBL7367137 0.88 AVPR2 (0.41) AVPR2NPC1RAB9A
SCHEMBL7372488 0.84 POLB (0.41) POLBGAAAVPR2L3MBTL1CHRNB2

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