SCHEMBL7300755

SCHEMBL7300755

Cn1c(CC2CCN(CCO)CC2)c(C(=O)O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HTR7 P34969 4/20 0.46
EGFR P00533 1/20 0.44
SLC18A3 Q16572 1/20 0.43
AGTR1 P30556 3/20 0.43
HTR4 Q13639 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPY1R P25929 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL9341470 0.89 HTR4 (0.50) KDM4EHTR7AGTR1HTR4ALDH1A1
SCHEMBL7302843 0.88 KDM4E (0.44) KDM4EMAPTHTR7EGFRHTR4
SCHEMBL7301395 0.88 HTR7 (0.46) KDM4EMAPTHTR7EGFRHTR4
SCHEMBL7304868 0.87 SLC6A2 (0.47) KDM4EMAPTHTR7SLC6A2SLC6A3
SCHEMBL7303046 0.87 ALDH1A1 (0.46) KDM4EMAPTHTR7EGFRALDH1A1
SCHEMBL9344433 0.85 CCR1 (0.46) KDM4EMAPTHTR7EGFRNPY1R
SCHEMBL7309279 0.84 KDM1A (0.45) KDM4EMAPTHTR7EGFRAGTR1
SCHEMBL4294891 0.84 HTR4 (0.55) KDM4EMAPTHTR7AGTR1HTR4
SCHEMBL7304670 0.83 KDM1A (0.46) KDM4EMAPTHTR7EGFRAGTR1
SCHEMBL7307824 0.82 HTR4 (0.49) MAPTHTR7AGTR1HTR4SMN1; SMN2

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