SCHEMBL30947740

SCHEMBL30947740

CC[C@@H]1CC(C)CCN1c1ccc(N)c(C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
IP6K1 Q92551 1/20 0.37
GFER P55789 1/20 0.37
GAA P10253 3/20 0.36
LGMN Q99538 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
IKBKB O14920 1/20 0.34
KDM4E B2RXH2 4/20 0.34
POLB P06746 1/20 0.34
NR4A1 P22736 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PARP1 P09874 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL28527712 1.00 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2IP6K1GFERGAA
SCHEMBL28519359 1.00 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2IP6K1GFERGAA
SCHEMBL28519358 1.00 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2IP6K1GFERGAA
SCHEMBL28527710 1.00 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2IP6K1GFERGAA
SCHEMBL17774925 0.85 NR1I2 (0.43) IP6K1GFERGAALGMN
SCHEMBL30947754 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL30947741 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL28534786 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL28534785 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL28526591 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2OPRM1OPRD1OPRK1

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-112469707-B Preventive or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2024-06-21 CN disclosed