SCHEMBL10653624

SCHEMBL10653624

CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)NCCCC[C@H](NC(=O)CN)C(N)=O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.57
▸ PGR P06401 1/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ AR P10275 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ TBXA2R P21731 1/20 0.57
▸ PTGS1 P23219 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ NOD1 Q9Y239 8/20 0.56
▸ GLP1R P43220 8/20 0.55
▸ TLR2 O60603 1/20 0.52
▸ EPHX2 P34913 1/20 0.50
▸ SLC6A5 Q9Y345 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
Pimelautide SCHEMBL28126753 0.92 NOD1 (0.65) ESR1PGRHTR1AADORA3AR
Pimelautide SCHEMBL444469 0.92 NOD1 (0.65) ESR1PGRHTR1AADORA3AR
SCHEMBL21389122 0.84 NOD1 (0.62) ESR1PGRHTR1AADORA3AR
SCHEMBL24795872 0.84 NOD1 (0.65) NOD1GLP1REPHX2SLC6A5
SCHEMBL21549155 0.84 NOD1 (0.65) NOD1GLP1REPHX2SLC6A5
SCHEMBL21389192 0.83 NOD1 (0.64) NOD1GLP1REPHX2SLC6A5
SCHEMBL25878526 0.82 NOD1 (0.63) NOD1GLP1REPHX2SLC6A5
SCHEMBL25877865 0.82 NOD1 (0.63) NOD1GLP1REPHX2SLC6A5
SCHEMBL15084766 0.82 NOD1 (0.63) NOD1GLP1RTLR2EPHX2SLC6A5
SCHEMBL9785097 0.81 NOD1 (0.71) NOD1GLP1RSLC6A5

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-4742048-A Tetrapeptides and pentapeptides, their preparation and compositions containing them RHONE-POULENC INDUSTRIES (FR) 1988-05-03 — — US disclosed
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