SCHEMBL9511063

SCHEMBL9511063

C[C@H](N)C(=O)NCC(=O)NC(C)(Cc1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
RECQL P46063 1/20 0.64
MAPK1 P28482 1/20 0.62
TERT O14746 1/20 0.41
CTRB1 P17538 3/20 0.40
KIF11 P52732 2/20 0.40
ENPEP Q07075 1/20 0.39
F7 P08709 1/20 0.38
MMP2 P08253 1/20 0.38
LTA4H P09960 1/20 0.38
OPRD1 P41143 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL9512649 0.87 CYP3A4 (0.65) CYP1A2CYP3A4RECQLMAPK1CTRB1
SCHEMBL9171380 0.87 CYP3A4 (0.65) CYP1A2CYP3A4RECQLMAPK1CTRB1
SCHEMBL9514532 0.87 CYP3A4 (0.65) CYP1A2CYP3A4RECQLMAPK1CTRB1
Hydrochloric Acid SCHEMBL9171943 0.85 MAPK1 (0.66) CYP1A2CYP3A4RECQLMAPK1CTRB1
Hydrochloric Acid SCHEMBL9163195 0.85 MAPK1 (0.66) CYP1A2CYP3A4RECQLMAPK1CTRB1
SCHEMBL9513149 0.83 CYP1A2 (0.82) CYP1A2CYP3A4RECQLMAPK1F7
Hydrochloric Acid SCHEMBL9513957 0.82 MAPK1 (0.82) CYP1A2CYP3A4RECQLMAPK1F7
SCHEMBL16884455 0.82 CYP3A4 (0.66) CYP1A2CYP3A4RECQLMAPK1OPRD1
SCHEMBL9510622 0.81 CYP1A2 (0.58) CYP1A2CYP3A4RECQLMAPK1CTRB1
Hydrochloric Acid SCHEMBL9511071 0.81 MAPK1 (0.67) CYP1A2CYP3A4RECQLMAPK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326240-B1 2-Amino acetamide derivatives FISONS CORP (US) 1993-10-20 EP claimed
EP-0401253-A1 2-AMINO ACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1990-12-12 EP claimed
US-4871872-A 2-[(2-aminoacetyl)amino]acetamide derivatives FISONS CORPORATION (US) 1989-10-03 US claimed
EP-0326240-A1 2-Amino acetamide derivatives FISONS CORPORATION (US) 1989-08-02 EP claimed
WO-1989006646-A1 2-AMINO ACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1989-07-27 WO claimed
EP-0326240-B1 2-Amino acetamide derivatives FISONS CORP (US) 1993-10-20 EP disclosed
EP-0401253-A1 2-AMINO ACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1990-12-12 EP disclosed
US-4871872-A 2-[(2-aminoacetyl)amino]acetamide derivatives FISONS CORPORATION (US) 1989-10-03 US disclosed
EP-0326240-A1 2-Amino acetamide derivatives FISONS CORPORATION (US) 1989-08-02 EP disclosed
WO-1989006646-A1 2-AMINO ACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1989-07-27 WO disclosed