SCHEMBL7303046

SCHEMBL7303046

Cn1c(CC2CCN(CCC#N)CC2)c(C(=O)O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
HTR7 P34969 4/20 0.43
HK1 P19367 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
EGFR P00533 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MEN1 O00255 1/20 0.39
RAD52 P43351 1/20 0.39
KMT2A Q03164 1/20 0.39
NPY1R P25929 1/20 0.39

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 0.87 KDM4E (0.46) ALDH1A1SMN1; SMN2HSD17B10KDM4EMAPT
SCHEMBL9341470 0.85 HTR4 (0.50) ALDH1A1KDM4ENPSR1HTR7
SCHEMBL7301395 0.84 HTR7 (0.46) ALDH1A1SMN1; SMN2HSD17B10KDM4EMAPT
SCHEMBL7302843 0.84 KDM4E (0.44) ALDH1A1SMN1; SMN2HSD17B10KDM4ENPSR1
SCHEMBL7304868 0.83 SLC6A2 (0.47) KDM4EMAPTHTR7
SCHEMBL9344433 0.82 CCR1 (0.46) KDM4EMAPTHTR7EGFRNPY1R
SCHEMBL7309279 0.81 KDM1A (0.45) KDM4EMAPTHTR7EGFR
SCHEMBL4294891 0.81 HTR4 (0.55) KDM4EALOX15NPSR1MAPTHTR7
SCHEMBL7304670 0.80 KDM1A (0.46) ALDH1A1SMN1; SMN2HSD17B10KDM4EMAPT
SCHEMBL7307824 0.79 HTR4 (0.49) SMN1; SMN2ALOX15NPSR1MAPTHTR7

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