SCHEMBL2269402

SCHEMBL2269402

NC12CC3CC(C1)CC(C(=O)Nc1cccc(Cl)c1)(C3)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42

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
SCHEMBL12218396 0.86 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL2225494 0.80 IDO1 (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL30795121 0.80 IDO1 (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL12517496 0.76 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL2222573 0.73 RAB9A (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL1073464 0.72 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL14503277 0.72 EPHX2 (0.67) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL2279802 0.72 P2RX7 (0.56) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL13023029 0.71 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL1548135 0.71 SPHK2 (0.57) SMN1; SMN2KMT2AMEN1LMNAHTT

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-2011087758-A1 ADAMANTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-07-21 WO disclosed