SCHEMBL8906214

SCHEMBL8906214

CNC[C@@H](Cc1cccs1)N(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
RAB9A P51151 3/20 0.45
CTSC P53634 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
ADAM17 P78536 4/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
OPRM1 P35372 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6319015 0.82 CTSK (0.45) CYP2C19RAB9ACTSCCYP3A4CYP2D6
SCHEMBL7064788 0.78 CYP2C19 (0.50) CYP2C19RAB9ACTSCADAM17ALDH1A1
SCHEMBL27562947 0.76 CYP2C19 (0.46) CYP2C19RAB9ACTSCCYP3A4ADAM17
SCHEMBL5271776 0.72 CYP3A4 (0.51) CYP2C19RAB9ACTSCCYP3A4CYP2D6
SCHEMBL6242631 0.72 CYP3A4 (0.54) CYP2C19RAB9ACTSCCYP3A4CYP2D6
SCHEMBL21978209 0.71 OPRD1 (0.45) RAB9ASLC6A2SLC6A4ALDH1A1HTT
SCHEMBL21978214 0.71 OPRD1 (0.45) RAB9ASLC6A2SLC6A4ALDH1A1HTT
SCHEMBL16585738 0.70 CYP2C19 (0.64) CYP2C19RAB9ACTSCADAM17ALDH1A1
SCHEMBL8188457 0.70 CYP2C19 (0.64) CYP2C19RAB9ACTSCALDH1A1PKM
SCHEMBL14019361 0.70 CYP2C19 (0.64) CYP2C19RAB9ACTSCALDH1A1PKM

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
CN-1211991-A Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 1999-03-24 CN disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed