SCHEMBL8404076

SCHEMBL8404076

CC1CC=C(c2nnn[nH]2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.34
NR1H2 P55055 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP4K4 O95819 1/20 0.31
ACACB O00763 1/20 0.31
FAAH O00519 1/20 0.30
ALDH1A1 P00352 2/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMARCA2 P51531 1/20 0.30
SMARCA4 P51532 1/20 0.30
PBRM1 Q86U86 1/20 0.30
GRM5 P41594 1/20 0.30
GRM1 Q13255 1/20 0.30

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
SCHEMBL8402170 0.76 MAPK1 (0.40) GPR119NR1H2ALDH1A1MAPTMAPK1
SCHEMBL24700155 0.75 UCHL1 (0.42) GPR119NR1H2MEN1KMT2AMAPK1
SCHEMBL8404088 0.74 NR1H2 (0.37) GPR119NR1H2ALDH1A1MAPTMAPK1
SCHEMBL30050499 0.68 USP30 (0.37) NR1H2MEN1KMT2AMAPK1
SCHEMBL24700432 0.68 USP30 (0.37) NR1H2MEN1KMT2AMAPK1
SCHEMBL34469116 0.65 NR1H2 (0.48) GPR119NR1H2MEN1KMT2AACACB
SCHEMBL1357636 0.65 ALDH1A1 (0.49) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL28970122 0.65 NR1H2 (0.48) GPR119NR1H2MEN1KMT2AACACB
SCHEMBL1357634 0.65 ALDH1A1 (0.49) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL24700389 0.65 NR1H2 (0.34) GPR119NR1H2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36374-E 1,2,3-triazole and tetrazole substituted piperidine or tetrahydropyridine compounds useful as acetylcholine agonists H. LUNDBECK, A/S (DK) 1999-11-02 US disclosed
EP-0296721-B1 HETEROCYCLIC COMPOUNDS H. LUNDBECK A/S (DK) 1993-06-23 EP disclosed
US-4925858-A NERVOUS SYSTEM DISORDERS, ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1990-05-15 US disclosed
US-4866077-A TREATMENT OF NERVOUS SYSTEM DISORDERS SUCH AS ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1989-09-12 US disclosed
EP-0296721-A2 Heterocyclic compounds H. LUNDBECK A/S (DK) 1988-12-28 EP disclosed