SCHEMBL9322225

SCHEMBL9322225

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ GNAI3 P08754 2/20 0.39
▸ GNAO1 P09471 2/20 0.39
▸ GNAI1 P63096 2/20 0.39
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TP53 P04637 2/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ BCHE P06276 2/20 0.36
▸ CHRM4 P08173 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL9322401 0.95 GAA (0.40) THRATHRBGNAI3GNAO1GNAI1
SCHEMBL9324758 0.89 LTA4H (0.42) THRATHRBGAATP53SMN1; SMN2
SCHEMBL9321412 0.81 SMN1; SMN2 (0.48) GNAI3GNAO1GNAI1FPR3FPR2
SCHEMBL24633509 0.80 TP53 (0.47) THRATHRBGAATP53SMN1; SMN2
SCHEMBL9323677 0.79 SMN1; SMN2 (0.39) GNAI3GNAO1GNAI1FPR3FPR2
SCHEMBL9322356 0.78 BCHE (0.47) GNAI3GNAO1GNAI1TP53SMN1; SMN2
SCHEMBL9324718 0.77 HRH3 (0.45) FPR3FPR2TP53SMN1; SMN2RAD52
SCHEMBL9323550 0.76 TP53 (0.39) FPR3FPR2TP53SMN1; SMN2
SCHEMBL9323743 0.76 THRA (0.40) THRATHRBGAATP53SMN1; SMN2
SCHEMBL9322390 0.76 HRH3 (0.48) FPR3FPR2TP53SMN1; SMN2RAD52

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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