SCHEMBL10036420

SCHEMBL10036420

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.48
▸ CAPN1 P07384 2/20 0.46
▸ CTSB P07858 2/20 0.46
▸ TACR1 P25103 3/20 0.43
▸ KISS1R Q969F8 3/20 0.43
▸ NTSR2 O95665 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ SORT1 Q99523 1/20 0.42
▸ GHSR Q92847 1/20 0.42
▸ BCL2A1 Q16548 2/20 0.41
▸ BID P55957 1/20 0.41
▸ IL23R Q5VWK5 1/20 0.40

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 0.82 DPP3 (0.58) DPP3CAPN1CTSBTACR1KISS1R
SCHEMBL24245857 0.81 DPP3 (0.54) DPP3CAPN1CTSBTACR1GHSR
SCHEMBL13018973 0.79 DPP3 (0.55) DPP3CAPN1CTSBKISS1RNTSR2
SCHEMBL13950953 0.79 DPP3 (0.55) DPP3CAPN1CTSBKISS1RNTSR2
SCHEMBL22753494 0.78 DPP3 (0.51) DPP3CAPN1CTSBGHSRBCL2A1
SCHEMBL29540462 0.74 CAPN1 (0.50) DPP3CAPN1CTSBTACR1KISS1R
SCHEMBL10036419 0.74 DPP3 (0.60) DPP3CAPN1CTSBTACR1KISS1R
SCHEMBL13226652 0.73 CAPN1 (0.54) DPP3CAPN1CTSBTACR1KISS1R
SCHEMBL13380048 0.73 DPP3 (0.55) DPP3CAPN1CTSBTACR1
SCHEMBL13393768 0.73 MC4R (0.53) DPP3CAPN1CTSBTACR1

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
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