SCHEMBL7771306

SCHEMBL7771306

CNC(C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)CCc1ccccn1)C(C)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
UTS2R Q9UKP6 2/20 0.39
PTGFR P43088 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8235027 0.83 MMP9 (0.43) CYP2D6UTS2R
SCHEMBL6656758 0.80 ALDH1A1 (0.50) CA2ALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL5879436 0.80 ALDH1A1 (0.50) CA2ALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL5879498 0.80 ALDH1A1 (0.50) CA2ALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL7771309 0.79 GHSR (0.45) CA2ALDH1A1KMT2APTGFRKDM4E
SCHEMBL8905430 0.79 FCER2 (0.56) CYP2D6
SCHEMBL6657445 0.77 GHSR (0.52) ALDH1A1KMT2APTGFRKDM4ETDP1
SCHEMBL7771304 0.77 GHSR (0.52) ALDH1A1KMT2APTGFRKDM4ETDP1
SCHEMBL18435475 0.76 ALDH1A1 (0.48) CA2ALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL16252293 0.76 ALDH1A1 (0.48) CA2ALDH1A1SMN1; SMN2KMT2ACYP1A2

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
EP-1127071-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES Novo Nordisk A/S (DK) 2001-08-29 EP disclosed
WO-2000026252-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 2000-05-11 WO disclosed