SCHEMBL9322261

SCHEMBL9322261

CC(C)CCC(CCC(C)C)NCCCN1CCC(O)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HRH2 P25021 2/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ GBA1 P04062 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ FPR3 P25089 1/20 0.32
▸ FPR2 P25090 1/20 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
SCHEMBL9323550 0.93 TP53 (0.39) TP53SMN1; SMN2GBA1FPR3FPR2
SCHEMBL12309907 0.84 PDCD1 (0.42) HRH3PDCD1CD274TP53SMN1; SMN2
SCHEMBL12309178 0.84 PDCD1 (0.42) HRH3PDCD1CD274TP53SMN1; SMN2
SCHEMBL9321464 0.83 KCNA3 (0.40) TP53SMN1; SMN2GBA1
SCHEMBL26012973 0.81 GBA1 (0.47) HRH3PDCD1CD274HRH2HRH1
SCHEMBL19958437 0.81 GBA1 (0.47) HRH3PDCD1CD274HRH2HRH1
SCHEMBL17574694 0.81 GBA1 (0.47) HRH3PDCD1CD274HRH2HRH1
SCHEMBL9323677 0.81 SMN1; SMN2 (0.39) HRH3TP53SMN1; SMN2FPR3FPR2
SCHEMBL9322356 0.80 BCHE (0.47) TP53SMN1; SMN2
SCHEMBL24428913 0.79 GBA1 (0.42) HRH3PDCD1CD274HRH2HRH1

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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