SCHEMBL21391026

SCHEMBL21391026

C[C@H](C(=O)CCCCc1nc2ccc(C(C)(C)O)cc2n1C1CCC1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.37
ALK Q9UM73 10/20 0.36
ADRB1 P08588 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
INSR P06213 2/20 0.35
LCK P06239 2/20 0.35
LTK P29376 2/20 0.35
AXL P30530 2/20 0.35
IRAK1 P51617 2/20 0.35
MAP4K2 Q12851 2/20 0.35
MERTK Q12866 2/20 0.35
NTRK1 P04629 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL21390845 0.84 HDAC1 (0.40) HDAC1ALKADRB1ADRA2ACYP19A1
SCHEMBL21390923 0.84 CYP19A1 (0.34) HDAC1CYP19A1CYP11B1CYP11B2
SCHEMBL21391106 0.83 HDAC1 (0.37) HDAC1ALKADRB1ADRA2ACYP19A1
SCHEMBL21390693 0.81 ACSS2 (0.31) ACSS2
SCHEMBL21390897 0.81 CYP19A1 (0.34) HDAC1CYP19A1CYP11B1CYP11B2
SCHEMBL21390842 0.80 HDAC1 (0.36) HDAC1ALKADRB1ADRA2ACYP19A1
SCHEMBL21390840 0.80 HDAC1 (0.35) HDAC1ADRB1ADRA2ACYP19A1CYP11B1
SCHEMBL21390674 0.80 ALK (0.37) HDAC1ALKADRB1ADRA2ACYP19A1
SCHEMBL21391041 0.80 HDAC1 (0.36) HDAC1ALKADRB1ADRA2ACYP19A1
SCHEMBL21391156 0.79 ADRB1 (0.35) HDAC1ALKADRB1ADRA2ACYP19A1

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed