SCHEMBL5281267

SCHEMBL5281267

[CH2]C(C)CCNC(=O)Cc1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
CYP2C19 P33261 1/20 0.51
P2RX7 Q99572 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CNR1 P21554 2/20 0.43
MAPK8 P45983 1/20 0.42
CNR2 P34972 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 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
SCHEMBL21401067 0.80 KMT2A (0.52) POLBP2RX7SMN1; SMN2NPC1KMT2A
SCHEMBL5293773 0.76 TAAR1 (0.68) HPGDALDH1A1HTTGAA
SCHEMBL5843237 0.76 MAPK8 (0.50) POLBP2RX7SMN1; SMN2NPC1KMT2A
SCHEMBL3668726 0.74 MEN1 (0.50) POLBSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL5298479 0.74 NPC1 (0.53) POLBP2RX7SMN1; SMN2NPC1KMT2A
Acetic Acid SCHEMBL10537361 0.73 TAAR1 (0.64) SMN1; SMN2HPGDALDH1A1HTTGAA
SCHEMBL25046059 0.73 ALDH1A1 (0.65) POLBSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL5294169 0.73 AKR1B1 (0.54) POLBP2RX7SMN1; SMN2NPC1KMT2A
SCHEMBL23903302 0.73 POLB (0.64) POLBCYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL5298485 0.72 NPC1 (0.54) POLBP2RX7SMN1; SMN2NPC1KMT2A

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed