SCHEMBL29568619

SCHEMBL29568619

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.48
▸ C5AR1 P21730 1/20 0.47
▸ RAMP3 O60896 7/20 0.47
▸ CALCR P30988 7/20 0.47
▸ PLK1 P53350 1/20 0.47
▸ CXCR4 P61073 3/20 0.46
▸ NMUR2 Q9GZQ4 1/20 0.46
▸ NMUR1 Q9HB89 1/20 0.46
▸ OPRD1 P41143 3/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ KDM5A P29375 1/20 0.46
▸ KDM1B Q8NB78 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
SCHEMBL29569098 1.00 APLNR (0.48) APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL29568813 1.00 APLNR (0.48) APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL29569376 0.96 CXCR4 (0.47) APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL29568980 0.96 CXCR4 (0.47) APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL29569656 0.96 PLK1 (0.50) APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL29569046 0.96 PLK1 (0.50) APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL29568824 0.96 PLK1 (0.50) APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL29569644 0.95 APLNR (0.47) APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL29569360 0.95 APLNR (0.47) APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL29569056 0.94 PLK1 (0.50) APLNRC5AR1RAMP3CALCRPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 — — EP claimed
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 — — EP disclosed
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