SCHEMBL4682154

SCHEMBL4682154

CCN(CCN(C)C)C1CCC(OC=C=O)N(C(=O)c2ccc(NC(=O)c3ccccc3Br)c(OC)c2)c2ccc(Cl)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
PYGL P06737 1/20 0.36
AVPR2 P30518 5/20 0.36
AVPR1A P37288 5/20 0.36
AVPR1B P47901 2/20 0.35
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
SPTLC2 O15270 1/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 1/20 0.32
USP2 O75604 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MTTP P55157 1/20 0.32
METAP2 P50579 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4682882 0.84 PYGL (0.38) SMN1; SMN2NPC1HPGDRAB9APYGL
SCHEMBL4684494 0.81 AVPR2 (0.38) SMN1; SMN2NPC1HPGDRAB9APYGL
SCHEMBL4682142 0.73 AVPR2 (0.44) PYGLAVPR2AVPR1AAVPR1BSPTLC2
SCHEMBL4682878 0.72 AVPR2 (0.44) SMN1; SMN2NPC1HPGDRAB9APYGL
SCHEMBL4682873 0.72 AVPR2 (0.45) SMN1; SMN2NPC1HPGDRAB9APYGL
SCHEMBL4684492 0.70 AVPR2 (0.45) SMN1; SMN2NPC1HPGDRAB9APYGL
SCHEMBL4684483 0.70 AVPR2 (0.46) SMN1; SMN2NPC1HPGDRAB9APYGL
SCHEMBL4687810 0.69 AVPR2 (0.48) SMN1; SMN2NPC1HPGDRAB9APYGL
SCHEMBL7354620 0.67 AVPR2 (0.53) AVPR2AVPR1AAVPR1B
SCHEMBL4684270 0.67 AVPR2 (0.41) SMN1; SMN2NPC1RAB9AAVPR2AVPR1A

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-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed