SCHEMBL1459357

SCHEMBL1459357

COc1ccc(-c2ccccc2NC(=O)CC2CN3CCC2CC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 6/20 0.52
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ KMT2A Q03164 5/20 0.48
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL6554427 0.85 EPHX2 (0.55) POLBALDH1A1KDM4EL3MBTL1MAPT
Hydrochloric Acid SCHEMBL5168514 0.84 EPHX2 (0.54) POLBALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL14540063 0.84 HTR3A (0.48) CHRM3CHRM2CHRM1KMT2AALDH1A1
SCHEMBL14540182 0.78 FPR1 (0.45) CHRM3CHRM2CHRM1
SCHEMBL14540137 0.77 HCRTR1 (0.47) CHRM3CHRM2CHRM1POLB
SCHEMBL14539956 0.76 DRD2 (0.45) CHRM3CHRM2CHRM1
SCHEMBL6556410 0.75 CHRM2 (0.44) CHRM3CHRM2CHRM1KMT2AALDH1A1
SCHEMBL14540002 0.74 KDM1A (0.42) CHRM3CHRM2CHRM1
SCHEMBL30965967 0.74 CHRNA7 (0.55) CHRM3CHRM2CHRM1KMT2APOLB
SCHEMBL13399620 0.73 CHRM3 (0.66) CHRM3CHRM2CHRM1

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-2480228-A1 USE OF NICOTINIC ACETYLCHOLINE RECEPTOR ALPHA 7 ACTIVATORS Novartis AG (CH) 2012-08-01 — — EP disclosed
WO-2011036167-A1 USE OF NICOTINIC ACETYLCHOLINE RECEPTOR ALPHA 7 ACTIVATORS NOVARTIS AG (CH) 2011-03-31 — — WO disclosed
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