SCHEMBL9529399

SCHEMBL9529399

CCC(=O)OC1CCN2CC=C(c3ccc(F)cc3)C1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
CHRM2 P08172 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRM3 P20309 4/20 0.34
CHRM4 P08173 3/20 0.34
NTMT1 Q9BV86 2/20 0.34
CHRM5 P08912 2/20 0.34
UGCG Q16739 1/20 0.34
EPHX2 P34913 1/20 0.33
RECQL P46063 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL6669418 0.99 SMN1; SMN2 (0.36) SMN1; SMN2MAPTCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL30038061 0.99 SMN1; SMN2 (0.36) SMN1; SMN2MAPTCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL720051 0.98 SMN1; SMN2 (0.33) SMN1; SMN2MAPTCHRM2CHRM1CHRM3
SCHEMBL9531097 0.76 GLA (0.41) CHRM2CHRM1NTMT1CYP2D6MEN1
SCHEMBL9529955 0.75 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5
Hydrochloric Acid SCHEMBL9529931 0.74 CHRM2 (0.40) CHRM2CHRM1CHRM3CHRM4CHRM5
Hydrochloric Acid SCHEMBL9529193 0.74 CHRM2 (0.38) CHRM2CHRM1CHRM3CHRM4NTMT1
SCHEMBL9529572 0.74 CHRNA7 (0.36) MEN1KMT2A
Hydrochloric Acid SCHEMBL9529197 0.73 CHRNA7 (0.36) MEN1KMT2A
Hydrochloric Acid SCHEMBL9529691 0.73 ALDH1A1 (0.39) MAPTRECQL

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
EP-0556342-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-08-25 EP claimed
WO-1992007854-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET KV. (HU) 1992-05-14 WO claimed