SCHEMBL8906164

SCHEMBL8906164

CNC(C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCCO1)C(C)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
GPR88 Q9GZN0 1/20 0.44
PSMB8 P28062 1/20 0.43
PSMB5 P28074 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 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
SCHEMBL8905430 0.81 FCER2 (0.56) CYP3A4CYP2D6
SCHEMBL6316867 0.80 CYP1A2 (0.59) CYP1A2RXFP1HPGDALDH1A1MAPT
SCHEMBL8914878 0.79 HTRA1 (0.46)
SCHEMBL8906170 0.78 CYP1A2 (0.46) CYP1A2RXFP1HPGDALDH1A1MAPT
Hydrochloric Acid SCHEMBL1311568 0.77 CYP1A2 (0.58) CYP1A2RXFP1HPGDALDH1A1MAPT
SCHEMBL8235027 0.76 MMP9 (0.43) CYP3A4CYP2D6
SCHEMBL8906161 0.75 CYP1A2 (0.45) CYP1A2RXFP1HPGDALDH1A1MAPT
SCHEMBL6319439 0.75 CYP1A2 (0.45) CYP1A2RXFP1HPGDALDH1A1MAPT
SCHEMBL8914696 0.74 FCER2 (0.50)
SCHEMBL18766739 0.71 PSMB5 (0.60) CYP1A2PSMB5

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