SCHEMBL9856776

SCHEMBL9856776

CCOc1cccc(C)c1CC(CCN(C)C)c1ccc(C(C)(C)C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
KIFC1 Q9BW19 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9856971 0.70 KDM4E (0.38) KDM4ERXFP1ALDH1A1NPSR1
SCHEMBL9967840 0.65 KDM1A (0.47) KDM4EALDH1A1NPSR1
SCHEMBL23841323 0.64 ALDH1A1 (0.40) KDM4EALDH1A1NPSR1
SCHEMBL7848329 0.63 HTT (0.46) KDM4EALDH1A1NPSR1
SCHEMBL2732490 0.62 KDM4E (0.72) KDM4EALDH1A1NPSR1
SCHEMBL11436470 0.62 KDM4E (0.62) KDM4EALDH1A1NPSR1
SCHEMBL9856717 0.62 TP53 (0.35) RXFP1
SCHEMBL22820476 0.61 KDM4E (0.47) KDM4EALDH1A1NPSR1
SCHEMBL16954859 0.61 ALDH1A1 (0.45) KDM4EALDH1A1NPSR1
SCHEMBL24123876 0.59 KDM4E (1.00) KDM4EALDH1A1NPSR1

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
US-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed