SCHEMBL7279129

SCHEMBL7279129

CN(C)CCC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.66
CTNNB1 P35222 5/20 0.65
WNT3A P56704 5/20 0.65
LMNA P02545 1/20 0.57
PBRM1 Q86U86 1/20 0.57
GPR84 Q9NQS5 1/20 0.56
KDM1A O60341 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRB2 P47870 1/20 0.55
ALDH1A1 P00352 2/20 0.53
ATM Q13315 1/20 0.53
HTR1A P08908 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
NR4A2 P43354 1/20 0.53
CREBBP Q92793 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL9633079 0.84 ADAM17 (0.73) ADAM17CTNNB1WNT3ALMNAPBRM1
SCHEMBL15988899 0.82 CTNNB1 (0.65) ADAM17CTNNB1WNT3ALMNAPBRM1
SCHEMBL27275913 0.81 CDK4 (0.58) CTNNB1WNT3APBRM1GPR84ALDH1A1
SCHEMBL28751191 0.80 GABRA1 (0.81) ADAM17CTNNB1WNT3ALMNAPBRM1
SCHEMBL7214385 0.80 ADAM17 (1.00) ADAM17CTNNB1WNT3ALMNAPBRM1
SCHEMBL9048121 0.80 ADAM17 (0.71) ADAM17CTNNB1WNT3ALMNAPBRM1
SCHEMBL1903034 0.79 ADAM17 (0.66) ADAM17CTNNB1WNT3ALMNAPBRM1
SCHEMBL15968498 0.79 CTNNB1 (1.00) ADAM17CTNNB1WNT3ALMNAPBRM1
SCHEMBL8959745 0.79 ADAM17 (0.66) ADAM17CTNNB1WNT3ALMNAPBRM1
SCHEMBL31588418 0.79 CTNNB1 (0.68) ADAM17CTNNB1WNT3ALMNAPBRM1

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
US-4814344-A ANTIEMENTICS, ANTIPSYCHOTICS GLAXO GROUP LIMITED 1989-03-21 US disclosed
EP-0266899-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1988-05-11 EP disclosed