SCHEMBL9323743

SCHEMBL9323743

COC(=O)C1CCN(CCCN(CCC(C)C)CCC(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ LTA4H P09960 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL9321324 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1GAA
SCHEMBL24633509 0.83 TP53 (0.47) THRATHRBTP53SMN1; SMN2ALDH1A1
SCHEMBL9323599 0.80 BCHE (0.49) SMN1; SMN2ALDH1A1LTA4HHSD17B10
SCHEMBL9322337 0.79 KCNA3 (0.43) —
SCHEMBL9322401 0.78 GAA (0.40) THRATHRBTP53SMN1; SMN2ALDH1A1
SCHEMBL9322294 0.78 BCHE (0.50) SMN1; SMN2ALDH1A1
SCHEMBL9323648 0.77 LTA4H (0.42) ALDH1A1GAALTA4HPOLBRAB9A
SCHEMBL9322225 0.76 THRA (0.40) THRATHRBTP53SMN1; SMN2ALDH1A1
SCHEMBL13472645 0.75 THRA (0.56) THRATHRBTP53SMN1; SMN2ALDH1A1
SCHEMBL9323544 0.75 KCNA3 (0.40) —

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
US-5310902-A Glutamate blockers NIPPON CHEMIPHAR CO., LTD. (JP) 1994-05-10 — — US disclosed
US-5070196-A GLUTAMATE BLOCKERS NIPPON CHEMIPHAR CO., LTD. (JP) 1991-12-03 — — US disclosed
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