SCHEMBL30540356

SCHEMBL30540356

CN(C)c1ccc(C(=O)NC2CCC(N)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 17/20 0.62
GRM5 P41594 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GFER P55789 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL13700751 0.92 SMYD3 (0.54) SMYD3GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL26414404 0.84 NPC1 (0.69) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL24359915 0.80 NPC1 (0.71) SMYD3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3811649 0.80 SMYD3 (0.68) SMYD3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3809790 0.80 NPC1 (0.71) SMYD3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13700747 0.79 NPC1 (0.52) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3812383 0.79 SMYD3 (0.82) SMYD3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL24512933 0.79 SMYD3 (0.82) SMYD3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL24360441 0.79 SMYD3 (0.62) SMYD3NPC1RAB9AMEN1KMT2A
SCHEMBL24360439 0.79 SMYD3 (0.62) SMYD3NPC1RAB9AMEN1KMT2A

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
CN-116710434-A Modulators of MAS-related G protein receptor X2 and related products and uses thereof 伊赛恩特制药公司 2023-09-05 CN disclosed