SCHEMBL11432177

SCHEMBL11432177

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 6/20 0.56
▸ MMP2 P08253 6/20 0.55
▸ MMP1 P03956 4/20 0.55
▸ MMP8 P22894 3/20 0.55
▸ MMP9 P14780 3/20 0.55
▸ IL1RN P18510 6/20 0.53
▸ OPRM1 P35372 2/20 0.52
▸ OPRD1 P41143 2/20 0.52
▸ ERAP1 Q9NZ08 3/20 0.51
▸ EDNRA P25101 1/20 0.50
▸ NPBWR1 P48145 1/20 0.49
▸ CCKBR P32239 1/20 0.49

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
Hydrochloric Acid SCHEMBL11496581 0.89 CCKBR (0.53) ERAP2MMP2MMP1MMP8MMP9
SCHEMBL11438299 0.88 CCKBR (0.62) CCKBR
Hydrochloric Acid SCHEMBL11435516 0.88 CCKBR (0.59) MMP2MMP1MMP8MMP9OPRD1
SCHEMBL30538857 0.87 ECE1 (0.57) ERAP2MMP2MMP1MMP8MMP9
SCHEMBL30052459 0.87 ECE1 (0.61) ERAP2MMP2MMP1MMP8MMP9
SCHEMBL29828658 0.86 ERAP2 (0.67) ERAP2MMP2MMP1MMP8MMP9
SCHEMBL31337768 0.86 ERAP2 (0.67) ERAP2MMP2MMP1MMP8MMP9
SCHEMBL31563651 0.86 ERAP2 (0.67) ERAP2MMP2MMP1MMP8MMP9
SCHEMBL29828681 0.85 KDM4E (0.57) ERAP2MMP2MMP1MMP8MMP9
SCHEMBL30307309 0.84 OPRM1 (0.62) ERAP2IL1RNOPRM1OPRD1ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4183909-A DIAGNOSTIC TOOL FOR GASTROINTESTINAL DISORDERS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1980-01-15 — — US disclosed
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