SCHEMBL652495

SCHEMBL652495

CCC(N[C@H](C)c1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
APAF1 O14727 1/20 0.53
MME P08473 1/20 0.52
ACP3 P15309 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
POLB P06746 4/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CASR P41180 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL19753552 0.86 MME (0.55) MEN1KMT2AAPAF1MMEACP3
SCHEMBL15384059 0.86 MME (0.55) MEN1KMT2AAPAF1MMEACP3
SCHEMBL17161710 0.86 MEN1 (0.53) MEN1KMT2AAPAF1MMEACP3
SCHEMBL5079891 0.85 MEN1 (0.51) MEN1KMT2AAPAF1ACP3SIGMAR1
SCHEMBL9752562 0.84 APAF1 (0.56) MEN1KMT2AAPAF1MMEACP3
SCHEMBL17530041 0.84 MMP9 (0.55) APAF1MMEPOLBCTDSP1
SCHEMBL7620487 0.84 APAF1 (0.56) MEN1KMT2AAPAF1MMEACP3
SCHEMBL11774297 0.84 APAF1 (0.51) MEN1KMT2AAPAF1ACP3SIGMAR1
SCHEMBL7944349 0.84 APAF1 (0.56) MEN1KMT2AAPAF1MMEACP3
SCHEMBL18722285 0.84 MMP9 (0.55) APAF1MMEPOLBCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US disclosed