SCHEMBL9321412

SCHEMBL9321412

CC(C)CCC(CCC(C)C)NCCCN1CCC(C(N)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ BCHE P06276 1/20 0.39
▸ GNAI3 P08754 1/20 0.39
▸ GNAO1 P09471 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FPR3 P25089 1/20 0.36
▸ FPR2 P25090 1/20 0.36

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
SCHEMBL9322356 0.94 BCHE (0.47) SMN1; SMN2TP53ALDH1A1BCHEGNAI3
SCHEMBL9323712 0.92 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL9324616 0.86 GAA (0.46) ALDH1A1MEN1KMT2A
SCHEMBL9322401 0.86 GAA (0.40) SMN1; SMN2TP53ALDH1A1GNAI3GNAO1
SCHEMBL9323677 0.85 SMN1; SMN2 (0.39) SMN1; SMN2TP53GNAI3GNAO1GNAI1
SCHEMBL9324758 0.82 LTA4H (0.42) SMN1; SMN2TP53ALDH1A1BCHEHSD17B10
SCHEMBL9323550 0.82 TP53 (0.39) SMN1; SMN2TP53FPR3FPR2
SCHEMBL9322225 0.81 THRA (0.40) SMN1; SMN2TP53ALDH1A1BCHEGNAI3
SCHEMBL3937676 0.80 SMN1; SMN2 (0.59) SMN1; SMN2TP53ALDH1A1BCHELMNA
SCHEMBL9322261 0.78 HRH3 (0.36) SMN1; SMN2TP53HRH3FPR3FPR2

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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