SCHEMBL7499190

SCHEMBL7499190

C=C(CCC(=O)OC)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 2/20 0.49
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TSHR P16473 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6990537 0.87 HPGD (0.53) HPGDL3MBTL1POLBMAOAMAOB
SCHEMBL3668982 0.84 HPGD (0.53) HPGDL3MBTL1POLBTSHRALDH1A1
SCHEMBL24403927 0.82 TSHR (0.48) HPGDPOLBMAOAMAOBTSHR
SCHEMBL10595277 0.82 MAOA (0.47) HPGDL3MBTL1MAOAMAOBTSHR
SCHEMBL7977632 0.81 HPGD (0.50) HPGDL3MBTL1POLBTSHRRAB9A
SCHEMBL2438089 0.79 POLB (0.50) HPGDL3MBTL1POLBTSHRHTT
SCHEMBL2438088 0.79 POLB (0.50) HPGDL3MBTL1POLBTSHRHTT
SCHEMBL6810549 0.78 L3MBTL1 (0.57) HPGDL3MBTL1POLBTSHRMAPT
SCHEMBL2436547 0.78 POLB (0.49) HPGDL3MBTL1POLBTSHRMAPT
SCHEMBL2436544 0.78 POLB (0.49) HPGDL3MBTL1POLBTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448247-B1 TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) SANKYO COMPANY, LIMITED (JP) 2002-09-10 US disclosed
EP-0776893-B1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO CO (JP) 2002-02-27 EP disclosed
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
CN-1157286-A N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide SANKYO CO (JP) 1997-08-20 CN disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 EP disclosed