SCHEMBL8302869

SCHEMBL8302869

CC(=O)CCOc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.54
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAOB P27338 1/20 0.51
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
FAAH O00519 1/20 0.49
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL13692338 0.91 KDM4E (0.55) LTA4HKDM4ESMN1; SMN2MAOBALDH1A1
SCHEMBL18132997 0.82 LTA4H (0.53) LTA4HL3MBTL1MAPTGAA
SCHEMBL20382734 0.82 NQO1 (0.56) ALDH1A1L3MBTL1MAPTCYP1A2TDP1
SCHEMBL652824 0.82 L3MBTL1 (0.67) LTA4HKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL19043223 0.82 MAPT (0.68) KDM4ESMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL169689 0.82 L3MBTL1 (0.72) MAOBL3MBTL1MAPTCYP1A2CYP2C19
SCHEMBL21991820 0.81 LTA4H (0.55) LTA4HKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22565482 0.81 LTA4H (0.51) LTA4HKDM4ESMN1; SMN2MAOBALDH1A1
SCHEMBL5191886 0.81 TDP1 (0.52) SMN1; SMN2ALDH1A1L3MBTL1MAPTTDP1
SCHEMBL20382758 0.81 L3MBTL1 (0.50) ALDH1A1L3MBTL1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO disclosed
US-5137896-A Useful in treatment of gastrointestinal and psychic disorder; analgesic, antiemetic and antiulcer agent JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-11 US disclosed
US-5057525-A Stimulators of gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1991-10-15 US disclosed
US-4962115-A Stimulate motility of gastrointestinal system JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-09 US disclosed
EP-0076530-B1 NOVEL N-(3-HYDROXY-4-PIPERIDINYL)BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-11 EP disclosed
EP-0076530-A2 Novel N-(3-hydroxy-4-piperidinyl)benzamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1983-04-13 EP disclosed