SCHEMBL8906161

SCHEMBL8906161

CNC(Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC1CCCO1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
GPR142 Q7Z601 1/20 0.42
HPGD P15428 5/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6319439 1.00 CYP1A2 (0.45) CYP1A2RXFP1ALDH1A1MAPTRAB9A
SCHEMBL6319205 0.87 NPY5R (0.49)
SCHEMBL8710834 0.86 CYP1A2 (0.44) CYP1A2ALDH1A1NPC1LMNAKMT2A
SCHEMBL6320830 0.86 CYP1A2 (0.44) CYP1A2ALDH1A1NPC1LMNAKMT2A
SCHEMBL8715210 0.85 CYP1A2 (0.44) CYP1A2RAB9ANPC1HPGDHTT
SCHEMBL6316954 0.85 CYP1A2 (0.44) CYP1A2RAB9ANPC1HPGDHTT
SCHEMBL6316765 0.83 BDKRB2 (0.45)
SCHEMBL8715806 0.82 FCER2 (0.52)
SCHEMBL6324655 0.82 MME (0.47)
SCHEMBL6316217 0.81 GHSR (0.43) CYP1A2RAB9A

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
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed