SCHEMBL9579366

SCHEMBL9579366

[CH2]NC(=O)CN1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.50
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9579397 0.78 MAPT (0.66) ALDH1A1SMN1; SMN2POLBMAPK1KDM4E
SCHEMBL9579315 0.78 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2GAAPOLBTDP1
SCHEMBL2568689 0.78 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL4697006 0.77 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2GAAPOLBTDP1
SCHEMBL19864498 0.77 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2GAAPOLBTDP1
SCHEMBL4080193 0.77 MAPT (0.64) ALDH1A1SMN1; SMN2GAAPOLBTDP1
SCHEMBL4089872 0.77 MAPT (0.64) ALDH1A1SMN1; SMN2GAAPOLBTDP1
SCHEMBL9043266 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2GAAPOLBTDP1
SCHEMBL6191426 0.76 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2GAAPOLBTDP1
SCHEMBL8417411 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2GAAPOLBTDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242919-A Antiinflammatory agents or hypotensive agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-07 US disclosed
US-5055474-A Antihypoxia, hypotensive, antiinflammatory agents; anoxia treatment OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0173331-B1 2,3-DIHYDRO-1H-INDENE DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4895847-A ANTIHYPOXIC, ANTIINFLAMMATORY, HYPOTENSIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-01-23 US disclosed
US-4788130-A ANTIHYDOXIC, HYPOTENSIVE, ANTIINFLAMMATORY AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-11-29 US disclosed
EP-0173331-A2 2,3-Dihydro-1H-indene derivatives, a process for preparing them and pharmaceutical compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 EP disclosed
US-3973981-A PHTHALOCYANINE DYES, PAINTS, INKS TOYO INK MANUFACTURING CO., LTD. (JA) 1976-08-10 US disclosed