SCHEMBL7302843

SCHEMBL7302843

COCCN1CCC(Cc2c(C(=O)O)c3ccccc3n2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MAPT P10636 1/20 0.44
HTR7 P34969 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR4 Q13639 1/20 0.42
GSK3B P49841 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EGFR P00533 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPY1R P25929 1/20 0.41

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 0.88 KDM4E (0.46) KDM4EMAPTHTR7HTR4EGFR
SCHEMBL9341470 0.86 HTR4 (0.50) KDM4EHTR7NPSR1HTR4ALDH1A1
SCHEMBL7301395 0.85 HTR7 (0.46) KDM4EMAPTHTR7HTR4EGFR
SCHEMBL7304868 0.84 SLC6A2 (0.47) KDM4EMAPTHTR7
SCHEMBL7303046 0.84 ALDH1A1 (0.46) KDM4EMAPTHTR7NPSR1MEN1
SCHEMBL9344433 0.83 CCR1 (0.46) KDM4EMAPTHTR7EGFRNPY1R
SCHEMBL4294891 0.81 HTR4 (0.55) KDM4EMAPTHTR7NPSR1HTR4
SCHEMBL7309279 0.81 KDM1A (0.45) KDM4EMAPTHTR7HTR4EGFR
SCHEMBL7304670 0.81 KDM1A (0.46) KDM4EMAPTHTR7EGFRALDH1A1
SCHEMBL7307824 0.80 HTR4 (0.49) MAPTHTR7NPSR1HTR4MEN1

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