SCHEMBL9766029

SCHEMBL9766029

CCC1CN(c2ncc(F)c(SC)n2)CCN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.37
CHRM4 P08173 4/20 0.36
JAK3 P52333 2/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
SLC6A9 P48067 3/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACACB O00763 2/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 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
SCHEMBL10372506 0.77 CHRM2 (0.44) CHRM4JAK3SLC6A9ACACB
SCHEMBL27233831 0.76 CHRM2 (0.46) CHRM4SLC6A9
SCHEMBL10371900 0.76 CHRM2 (0.46) CHRM4SLC6A9
SCHEMBL27233824 0.76 CHRM2 (0.46) CHRM4SLC6A9
SCHEMBL10849119 0.75 GRM1 (0.47) CHRM4TSHRALDH1A1GAAHPGD
SCHEMBL10372937 0.74 SLC6A7 (0.42) CHRM4TSHRALDH1A1
SCHEMBL10374711 0.72 L3MBTL1 (0.42) SLC6A9
SCHEMBL25192004 0.71 TRPC6 (0.38) CHRM4JAK3SLC6A9MAPK1
SCHEMBL10373604 0.71 SLC6A7 (0.50) GPBAR1MAPTALDH1A1SMN1; SMN2
SCHEMBL10373568 0.70 ACACB (0.46) ALDH1A1ACACBKMT2A

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-4994460-A Treatment or prevention of disorders resulting from central nervous system anoxia BRISTOL-MYERS SQUIBB CO. (US) 1991-02-19 US disclosed
EP-0400661-A1 Agents for treatment of brain ischemia Bristol-Myers Squibb Company (US) 1990-12-05 EP disclosed