SCHEMBL25959895

SCHEMBL25959895

CCCNc1cccc(OC[C@@H](C)N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TOP1 P11387 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
F2 P00734 1/20 0.36
THRB P10828 1/20 0.36
CYP2D6 P10635 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL2090211 0.74 MTNR1B (0.62) MTNR1AMTNR1BMAPT
SCHEMBL12963096 0.74 SYK (0.49) MTNR1AMTNR1BF2THRBNR1H4
SCHEMBL30515092 0.73 CYP3A4 (0.56) HIF1ATOP1CYP3A4MAPT
SCHEMBL25336536 0.73 CYP3A4 (0.56) HIF1ATOP1CYP3A4MAPT
SCHEMBL30515013 0.73 CYP3A4 (0.56) HIF1ATOP1CYP3A4MAPT
SCHEMBL25320764 0.73 CYP3A4 (0.56) HIF1ATOP1CYP3A4MAPT
SCHEMBL29346756 0.73 ALDH1A1 (0.49) HIF1AMAPT
SCHEMBL25320768 0.73 CYP3A4 (0.56) HIF1ATOP1CYP3A4MAPT
SCHEMBL25959894 0.72 TOP1 (0.43) HIF1AMTNR1AMTNR1BTOP1SIRT2
SCHEMBL7801099 0.71 MAPK1 (0.58) MTNR1AMTNR1BMAPTHTT

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
WO-2023146989-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed