SCHEMBL5703181

SCHEMBL5703181

CCC(CC)COc1ccc(C=O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TACR2 P21452 1/20 0.44
ALDH3A1 P30838 1/20 0.43
ALDH1A3 P47895 1/20 0.43
FDPS P14324 1/20 0.43
LMNA P02545 1/20 0.42
TTR P02766 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NFKB1 P19838 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
SCHEMBL3725582 0.84 ALDH1A1 (0.47) ALDH1A1HPGDMAPTCYP1A2CYP2D6
SCHEMBL30902399 0.82 ALDH1A1 (0.60) ALDH1A1HPGDMAPTCYP1A2CYP2D6
SCHEMBL566725 0.82 ALDH1A1 (0.60) ALDH1A1HPGDMAPTCYP1A2CYP2D6
SCHEMBL6689930 0.82 FDPS (0.67) ALDH1A1HPGDMAPTCYP1A2CYP2D6
SCHEMBL6226106 0.82 ALDH1A1 (0.62) ALDH1A1HPGDMAPTFDPSLMNA
SCHEMBL23909065 0.81 ALDH1A1 (0.47) ALDH1A1HPGDMAPTCYP1A2CYP2D6
Benzene SCHEMBL27642249 0.80 TACR2 (0.57) ALDH1A1HPGDMAPTCYP1A2CYP2D6
SCHEMBL566342 0.80 CSNK2A1 (0.55) ALDH1A1HPGDMAPTCYP1A2CYP2D6
SCHEMBL27662762 0.78 ALDH1A1 (0.47) ALDH1A1HPGDMAPTCYP1A2CYP2D6
SCHEMBL566481 0.78 FDPS (0.53) ALDH1A1HPGDMAPTCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1875271-A Treatment of neuropathic pain with neuropeptide FF receptor 2 agonists ACADIA PHARM INC (US) 2006-12-06 CN disclosed
EP-1687641-A2 TREATING NEUROPATHIC PAIN WITH NEUROPEPTIDE FF RECEPTOR 2 AGONISTS Acadia Pharmaceuticals Inc. (US) 2006-08-09 EP disclosed
US-20050136444-A1 Treating neuropathic pain with neuropeptide FF receptor 2 agonists ACADIA PHARMACEUTICALS INC. 2005-06-23 US disclosed
WO-2005031000-A2 TREATING NEUROPATHIC PAIN WITH NEUROPEPTIDE FF RECEPTOR 2 AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2005-04-07 WO disclosed
WO-2004087125-A1 AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2004-10-14 WO disclosed