SCHEMBL3139926

SCHEMBL3139926

CCCC(CCC)Cn1cc(C(=O)O)c2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.43
KCNH2 Q12809 2/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
METTL3 Q86U44 1/20 0.39
METTL14 Q9HCE5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL3177871 0.85 HTR3A (0.47) PLK1CNR1CNR2KDM4EALDH1A1
SCHEMBL3596003 0.84 ICMT (0.46) PLK1KCNH2KMT2ACNR1CNR2
SCHEMBL3178983 0.83 KDM4E (0.60) PLK1CNR1CNR2KDM4EALDH1A1
SCHEMBL12485507 0.83 KDM4E (0.54) KCNH2KMT2ACNR1CNR2KDM4E
SCHEMBL3043520 0.82 PLK1 (0.62) PLK1KMT2ACNR1CNR2KDM4E
SCHEMBL3145834 0.81 ALDH1A1 (0.46) PLK1KDM4EALDH1A1HPGDTSHR
SCHEMBL13619970 0.80 KMT2A (0.44) KMT2ACNR1CNR2KDM4EPTGDR2
SCHEMBL8358588 0.75 LMNA (0.62) KMT2ACNR1CNR2KDM4EALDH1A1
SCHEMBL13518920 0.74 GAA (0.53) KMT2ACNR1CNR2KDM4EPTGDR2
SCHEMBL2644030 0.74 CPT1A (0.44) PLK1CNR1CNR2F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217597-A1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS, INC. (US) 2010-08-18 EP claimed
WO-2009046025-A1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS, INC. (US) 2009-04-09 WO claimed
EP-2217597-A1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS, INC. (US) 2010-08-18 EP disclosed
WO-2009046025-A1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS, INC. (US) 2009-04-09 WO disclosed