SCHEMBL7737652

SCHEMBL7737652

CC(C)(C)OC(=O)CN1CC(=O)N(Cc2ccccc2)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.50
PLA2G5 P39877 1/20 0.50
KMT2A Q03164 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC6 Q9UBN7 4/20 0.41
MEN1 O00255 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
HDAC1 Q13547 2/20 0.39

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
SCHEMBL6283002 0.84 CYP2D6 (0.65) PLA2G10PLA2G5KMT2ASMN1; SMN2OPRM1
SCHEMBL28546761 0.83 PLA2G10 (0.45) PLA2G10PLA2G5KMT2ASMN1; SMN2OPRM1
SCHEMBL7366693 0.82 TSHR (0.51) KMT2ASMN1; SMN2POLBCYP2D6CYP2C9
SCHEMBL7199915 0.80 PLA2G10 (0.63) PLA2G10PLA2G5KMT2ASMN1; SMN2OPRM1
SCHEMBL7365707 0.79 KMT2A (0.66) KMT2ASMN1; SMN2POLBCYP2D6CYP2C9
SCHEMBL12957540 0.78 KMT2A (0.54) KMT2ASMN1; SMN2POLBCYP2D6CYP2C9
SCHEMBL7745615 0.78 KMT2A (0.52) KMT2ASMN1; SMN2POLBCYP2D6CYP2C9
SCHEMBL8293418 0.77 OPRD1 (0.47) KMT2AKDM4EL3MBTL1HDAC6MAPK1
SCHEMBL1488276 0.77 L3MBTL1 (0.56) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL1049753 0.76 HDAC1 (0.50) KMT2APOLBCYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819005-A4 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2001-03-21 EP disclosed
US-5773441-A PRODRUGS; ANIMAL HUSBANDRY ELI LILLY AND COMPANY (US) 1998-06-30 US disclosed
EP-0819005-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-01-21 EP disclosed
EP-0761220-A1 2-Acylaminopropanamides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP disclosed
US-5565568-A USEFUL IN TREATMENT OR PREVENTION OF A PHYSIOLOGICAL DISORDER ASSOCIATED WITH AN EXCESS OF TACHYKININS ELI LILLY AND COMPANY (US) 1996-10-15 US disclosed
WO-1996031214-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-10 WO disclosed