SCHEMBL6443274

SCHEMBL6443274

NC(=O)C1CCCN1C(=O)NCCc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.48
▸ DPP4 P27487 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ FKBP1A P62942 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL1219412 0.84 ALDH1A1 (0.52) DPP4ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL13570397 0.80 DPP4 (0.49) DPP4NPC1HSD11B1FKBP1APOLB
SCHEMBL30874840 0.80 DPP4 (0.49) DPP4NPC1HSD11B1FKBP1APOLB
SCHEMBL6273381 0.77 MEN1 (0.53) RAB9ANPC1
SCHEMBL7469565 0.75 ALDH1A1 (0.52) DPP4ALDH1A1SMN1; SMN2NPC1FKBP1A
SCHEMBL26616464 0.74 FKBP1A (0.45) DPP4FKBP1A
SCHEMBL26616469 0.74 FKBP1A (0.45) DPP4FKBP1A
SCHEMBL4598287 0.74 ALOX5AP (0.60) ALDH1A1RAB9ASMN1; SMN2NPC1HSD11B1
SCHEMBL7853026 0.73 ALDH1A1 (0.44) CASP3DPP4ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7844655 0.73 CNR1 (0.48) DPP4ALDH1A1RAB9ASMN1; SMN2NPC1

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-1608369-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2005-12-28 — — EP claimed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 — — WO claimed
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