SCHEMBL9322401

SCHEMBL9322401

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ TP53 P04637 2/20 0.40
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CHRM4 P08173 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GALR3 O60755 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
SCHEMBL9322225 0.95 THRA (0.40) GAASMN1; SMN2TP53THRATHRB
SCHEMBL9324758 0.94 LTA4H (0.42) GAASMN1; SMN2TP53THRATHRB
SCHEMBL9321412 0.86 SMN1; SMN2 (0.48) SMN1; SMN2TP53HSD17B10ALDH1A1GNAI3
SCHEMBL9323677 0.84 SMN1; SMN2 (0.39) SMN1; SMN2TP53HSD17B10GNAI3GNAO1
SCHEMBL9322356 0.82 BCHE (0.47) SMN1; SMN2TP53HSD17B10ALDH1A1GNAI3
SCHEMBL24633509 0.82 TP53 (0.47) GAASMN1; SMN2TP53THRATHRB
SCHEMBL9323550 0.81 TP53 (0.39) SMN1; SMN2TP53FPR3FPR2
SCHEMBL9323743 0.78 THRA (0.40) GAASMN1; SMN2TP53THRATHRB
SCHEMBL9323712 0.77 SMN1; SMN2 (0.50) GAASMN1; SMN2HSD17B10ALDH1A1GNAI3
SCHEMBL9322261 0.77 HRH3 (0.36) SMN1; SMN2TP53FPR3FPR2

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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