SCHEMBL6257600

SCHEMBL6257600

Cc1cccc(C)c1NC(=O)CNC1CN2CCC1CC2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.49
KCNK3 O14649 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 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
SCHEMBL403848 0.76 CHRNA7 (0.53) CHRNA7LMNAMEN1KMT2AALDH1A1
SCHEMBL11504799 0.75 MEN1 (0.54) KCNK3LMNAMEN1KMT2AKCNH2
SCHEMBL11673632 0.74 EPHX1 (0.56) LMNAMEN1KMT2AKCNH2ALDH1A1
SCHEMBL30300553 0.73 MEN1 (0.62) LMNAMEN1KMT2AKCNH2ALDH1A1
SCHEMBL7438921 0.69 TAS1R3 (0.59)
SCHEMBL7438929 0.69 TAS1R3 (0.59)
SCHEMBL1232491 0.69 MAPT (0.58) LMNAMEN1KMT2AKCNH2ALDH1A1
SCHEMBL7438039 0.69
Hydrochloric Acid SCHEMBL7432770 0.68 TAS1R3 (0.57)
Hydrochloric Acid SCHEMBL7432766 0.68 TAS1R3 (0.57)

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-2005025498-A2 SUBSTITUTED ACETANILIDES AND BENZAMIDES FOR THE TREATMENT OF ASTHMA AND PULMONARY INFLAMMATION CORUS PHARMA (US) 2005-03-24 WO disclosed