SCHEMBL4979426

SCHEMBL4979426

CCCCCN1C(=O)NC2(C(=O)Nc3ccc(C)cc32)C1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.51
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.42
AKR1B1 P15121 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 3/20 0.37

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
SCHEMBL4979970 0.83 AKR1B1 (0.41) CNR1ALDH1A1SMN1; SMN2AKR1B1MEN1
SCHEMBL4979166 0.81 CYP1A2 (0.39) ALDH1A1MAPTSMN1; SMN2AKR1B1MEN1
SCHEMBL4255427 0.80 MAPT (0.45) CNR1ALDH1A1MAPTSMN1; SMN2FAAH
SCHEMBL4974510 0.79 CNR1 (0.49) CNR1ALDH1A1MAPTAKR1B1MEN1
SCHEMBL3953441 0.76 CYP1A2 (0.40) ALDH1A1SMN1; SMN2AKR1B1MEN1KMT2A
SCHEMBL4979616 0.74 KMT2A (0.37) CNR1ALDH1A1MAPTSMN1; SMN2AKR1B1
SCHEMBL4979421 0.73 CYP1A2 (0.42) ALDH1A1MAPTSMN1; SMN2AKR1B1MEN1
SCHEMBL4976844 0.73 KMT2A (0.38) MAPTAKR1B1KMT2ACYP1A2POLB
SCHEMBL4977919 0.72 KMT2A (0.40) ALDH1A1MEN1KMT2APOLBCYP3A4
SCHEMBL3960401 0.71 AKR1B1 (0.41) ALDH1A1SMN1; SMN2AKR1B1MEN1KMT2A

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
EP-1984374-A1 USE OF SPIRO Ý IMIDAZOLIDINE-4, 3'-INDOLE¨2, 2', 5' (1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 AstraZeneca AB (SE) 2008-10-29 EP claimed
WO-2007091946-A1 USE OF SPIRO [ IMIDAZOLIDINE-4, 3'-INDOLE] 2, 2', 5' (1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 ASTRAZENECA AB (SE) 2007-08-16 WO claimed