SCHEMBL8715210

SCHEMBL8715210

CN(C(=O)OC(C)(C)C)C(Cc1ccc2ccccc2c1)C(=O)N(C)C(Cc1ccccc1)C(=O)NCC1CCCO1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
GHSR Q92847 2/20 0.41
TACR1 P25103 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 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
SCHEMBL6316954 1.00 CYP1A2 (0.44) CYP1A2GHSRTACR1RAB9ANPC1
SCHEMBL6319173 0.89 CYP1A2 (0.52) CYP1A2HPGD
SCHEMBL6319467 0.89 HTR2A (0.43) CYP1A2NPC1HPGD
SCHEMBL6319121 0.86 CYP1A2 (0.39) CYP1A2GHSRTACR1CTSBCTSS
SCHEMBL6318935 0.86 GHSR (0.41) CYP1A2GHSRTACR1CTSBCTSS
SCHEMBL6318929 0.86 GHSR (0.41) CYP1A2GHSRTACR1CTSBCTSS
SCHEMBL6324130 0.85 CYP1A2 (0.41) CYP1A2GHSRTACR1RAB9ANPC1
SCHEMBL8906161 0.85 CYP1A2 (0.45) CYP1A2RAB9ANPC1HPGDHTT
SCHEMBL6319439 0.85 CYP1A2 (0.45) CYP1A2RAB9ANPC1HPGDHTT
SCHEMBL6316217 0.84 GHSR (0.43) CYP1A2GHSRTACR1RAB9A

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-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed