SCHEMBL7304670

SCHEMBL7304670

CN(CCN1CCC(Cc2c(C(=O)O)c3ccccc3n2C)CC1)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
AGTR1 P30556 3/20 0.42
OPRM1 P35372 5/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTR7 P34969 4/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EGFR P00533 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
SCHEMBL7300755 0.83 KDM4E (0.46) AGTR1KDM4EMAPTHTR7ALDH1A1
SCHEMBL4294891 0.83 HTR4 (0.55) KDM1AAGTR1KDM4EMAPTHTR7
SCHEMBL7324773 0.82 HTR4 (0.69) KDM1AAGTR1
SCHEMBL7307824 0.82 HTR4 (0.49) AGTR1MAPTHTR7SMN1; SMN2
SCHEMBL9341470 0.81 HTR4 (0.50) AGTR1KDM4EHTR7ALDH1A1
SCHEMBL7309279 0.81 KDM1A (0.45) KDM1AAGTR1KDM4EMAPTHTR7
SCHEMBL7301395 0.81 HTR7 (0.46) KDM4EMAPTHTR7ALDH1A1SMN1; SMN2
SCHEMBL7302843 0.81 KDM4E (0.44) KDM4EMAPTHTR7ALDH1A1SMN1; SMN2
SCHEMBL7303046 0.80 ALDH1A1 (0.46) KDM4EMAPTHTR7ALDH1A1SMN1; SMN2
SCHEMBL7304868 0.80 SLC6A2 (0.47) KDM4EMAPTHTR7

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
EP-0501322-B1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LTD (GB) 1996-09-04 EP claimed