SCHEMBL7976041

SCHEMBL7976041

C/N=N/C(=O)C1(N2CCCCC2=O)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 3/20 0.40
KDM1A O60341 2/20 0.39
OPRD1 P41143 1/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL7976042 1.00 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4870245 0.87 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6161501 0.85 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6161821 0.85 PPIA (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6160410 0.85 MEN1 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8292281 0.85 SMN1; SMN2 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6162538 0.84 MEN1 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6951672 0.84 ALDH1A1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8293109 0.83 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8301170 0.82 CA1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
US-6235757-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2001-05-22 US disclosed