SCHEMBL9323550

SCHEMBL9323550

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNA3 P22001 1/20 0.38
▸ SPHK1 Q9NYA1 1/20 0.35
▸ FPR3 P25089 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ GBA1 P04062 2/20 0.34
▸ USP2 O75604 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ OPRL1 P41146 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
SCHEMBL9322261 0.93 HRH3 (0.36) TP53SMN1; SMN2FPR3FPR2GBA1
SCHEMBL9321464 0.91 KCNA3 (0.40) TP53SMN1; SMN2KCNA3SPHK1GBA1
SCHEMBL9323677 0.85 SMN1; SMN2 (0.39) TP53SMN1; SMN2FPR3FPR2USP2
SCHEMBL9322707 0.82 FPR3 (0.40) TP53SMN1; SMN2FPR3FPR2
SCHEMBL12514044 0.82 SMN1; SMN2 (0.40) TP53SMN1; SMN2KCNA3SPHK1
SCHEMBL9321412 0.82 SMN1; SMN2 (0.48) TP53SMN1; SMN2FPR3FPR2
SCHEMBL9322316 0.81 CARM1 (0.41) TP53SMN1; SMN2FPR3FPR2SIGMAR1
SCHEMBL9322401 0.81 GAA (0.40) TP53SMN1; SMN2FPR3FPR2
SCHEMBL9322327 0.81 HRH3 (0.42) TP53SMN1; SMN2FPR3FPR2SIGMAR1
SCHEMBL9321403 0.81 HRH3 (0.42) TP53SMN1; SMN2FPR3FPR2SIGMAR1

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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