SCHEMBL14730342

SCHEMBL14730342

O=C(OC1(c2noc(N3CCC(NC4CC4)CC3)n2)CC1)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
KDM1A O60341 2/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
OPRK1 P41145 8/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
SMO Q99835 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6128595 0.80 GPR119 (0.39) MEN1KMT2A
SCHEMBL6125551 0.75 GPR119 (0.35) KDM1AOPRK1SMN1; SMN2
SCHEMBL461225 0.73 DRD2 (0.34) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12490134 0.63 FAAH (0.47) MAPTPOLBOPRK1MEN1KMT2A
SCHEMBL12506061 0.61 MAPT (0.49) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL14723550 0.59 GPR119 (0.40) OPRK1
SCHEMBL8614390 0.59 GPR119 (0.38) OPRK1
SCHEMBL12490078 0.58 GPR119 (0.39) OPRK1
SCHEMBL12490728 0.58 GPR119 (0.68) MAPTOPRK1
SCHEMBL22630178 0.58 LMNA (0.45) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed