SCHEMBL4788901

SCHEMBL4788901

Cc1ccc(C(=O)N2CC(C)OC(C)C2)c2c1CC[C@@H](N)C2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
NPC1 O15118 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL4787977 0.81 L3MBTL1 (0.40) ALDH1A1HPGDNPSR1TSHRLMNA
SCHEMBL4788693 0.77 HPGD (0.58) ALDH1A1HPGDNPC1TSHRSMN1; SMN2
SCHEMBL4789084 0.74 KDM4E (0.45) ALDH1A1LMNAL3MBTL1
SCHEMBL10330511 0.69 HSD17B10 (0.58) ALDH1A1HPGDNPC1NPSR1HSD17B10
SCHEMBL7245369 0.67 TSHR (0.37) ALDH1A1NPSR1HSD17B10TSHRSMN1; SMN2
SCHEMBL4212502 0.67 TSHR (0.37) ALDH1A1NPSR1HSD17B10TSHRSMN1; SMN2
SCHEMBL19174932 0.65 HSD17B10 (0.56) ALDH1A1HPGDNPC1NPSR1HSD17B10
SCHEMBL16907846 0.63 ALDH1A1 (0.71) ALDH1A1HPGDNPC1NPSR1HSD17B10
SCHEMBL4222227 0.63 GPR119 (0.45) ALDH1A1NPC1LMNAL3MBTL1RAB9A
SCHEMBL23536584 0.63 TSHR (0.61) ALDH1A1HPGDNPC1HSD17B10TSHR

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-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed