SCHEMBL8906170

SCHEMBL8906170

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
PSMB8 P28062 1/20 0.43
PSMB5 P28074 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 1/20 0.42
HPGD P15428 3/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSL P07711 1/20 0.40
FCER2 P06734 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
SCHEMBL8905440 0.81 FCER2 (0.58) CTSBCTSSCTSKCTSLFCER2
SCHEMBL8906161 0.78 CYP1A2 (0.45) CYP1A2RXFP1ALDH1A1MAPTRAB9A
SCHEMBL6319439 0.78 CYP1A2 (0.45) CYP1A2RXFP1ALDH1A1MAPTRAB9A
SCHEMBL8906164 0.78 CYP1A2 (0.49) CYP1A2RXFP1ALDH1A1MAPTPSMB8
SCHEMBL6316867 0.77 CYP1A2 (0.59) CYP1A2RXFP1ALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL1311568 0.76 CYP1A2 (0.58) CYP1A2RXFP1ALDH1A1MAPTRAB9A
SCHEMBL8715210 0.73 CYP1A2 (0.44) CYP1A2RAB9ANPC1CTSBCTSS
SCHEMBL6316954 0.73 CYP1A2 (0.44) CYP1A2RAB9ANPC1CTSBCTSS
SCHEMBL7771309 0.70 GHSR (0.45) ALDH1A1RAB9ANPC1KMT2AFCER2
SCHEMBL7356432 0.70 ALDH1A1 (0.52) CYP1A2RXFP1ALDH1A1MAPTRAB9A

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