SCHEMBL9856717

SCHEMBL9856717

CCOc1cccc(C(C)CC)c1CC(CCNC)c1ccc(C(C)(C)C)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL3920762 0.63 MAPT (0.54) TP53MAPTSMN1; SMN2ALPLPOLB
SCHEMBL9856543 0.63 SLC6A4 (0.40) TP53
SCHEMBL9856776 0.62 KDM4E (0.40) RXFP1
SCHEMBL9857057 0.61 SLC6A4 (0.37) TP53SMN1; SMN2
SCHEMBL12188826 0.59 L3MBTL1 (0.56) MAPT
SCHEMBL19122587 0.59 L3MBTL1 (0.56) MAPT
SCHEMBL25511138 0.59 RIPK1 (0.40) SMN1; SMN2POLB
SCHEMBL9856696 0.58 HTR2A (0.43)
Sulfuric Acid SCHEMBL9856834 0.58 ALOX15 (0.42) TP53MAPTPOLB
SCHEMBL13064207 0.57 TSHR (0.52) TP53

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