SCHEMBL10036419

SCHEMBL10036419

C/C=C(\NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)NC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.60
▸ SLC6A2 P23975 1/20 0.49
▸ CAPN1 P07384 2/20 0.48
▸ CTSB P07858 2/20 0.48
▸ TACR1 P25103 2/20 0.48
▸ CALCRL Q16602 1/20 0.48
▸ NTSR2 O95665 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ SORT1 Q99523 1/20 0.47
▸ KISS1R Q969F8 1/20 0.46

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
SCHEMBL10036414 0.92 DPP3 (0.58) DPP3CAPN1CTSBTACR1KISS1R
SCHEMBL29572021 0.89 DPP3 (0.71) DPP3SLC6A2TACR1CALCRLNTSR2
SCHEMBL29575470 0.83 DPP3 (0.61) DPP3SLC6A2CAPN1CTSBNTSR2
SCHEMBL30051571 0.82 DPP3 (0.57) DPP3CAPN1CTSB
SCHEMBL30953538 0.82 DPP3 (0.62) DPP3SLC6A2
SCHEMBL29993706 0.81 DPP3 (0.68) DPP3SLC6A2
SCHEMBL29973443 0.80 DPP3 (0.57) DPP3SLC6A2CAPN1CTSBCALCRL
SCHEMBL30052255 0.79 DPP3 (0.69) DPP3TACR1
SCHEMBL30679614 0.79 CAPN1 (0.55) DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL29498754 0.78 DPP3 (0.61) DPP3CAPN1CTSBTACR1NTSR2

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
EP-2271665-B1 HIGHLY BRIDGED PEPTIDES FROM ACTINOMADURA NAMIBIENSIS SANOFI SA (FR) 2012-01-18 — — EP disclosed
Send feedback