SCHEMBL9690904

SCHEMBL9690904

CCCCNc1ccc(NCCCC)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
HCAR3 P49019 3/20 0.45
TLR8 Q9NR97 4/20 0.43
NR4A2 P43354 1/20 0.42
MAPT P10636 5/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
UTS2R Q9UKP6 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
RGS12 O14924 1/20 0.40

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
SCHEMBL27542122 0.84 HCAR3 (0.41) KDM6BKDM4CHCAR3L3MBTL1NPSR1
SCHEMBL29033346 0.84 KDM6B (0.57) KDM6BKDM4CHCAR3CYP2C9
Iodide SCHEMBL27772285 0.82 HCAR3 (0.40) KDM6BKDM4CHCAR3L3MBTL1NPSR1
SCHEMBL28621184 0.82 HCAR3 (0.40) HCAR3TLR8TLR7
SCHEMBL15934301 0.82 KDM6B (0.39) KDM6BKDM4CHCAR3TLR8NR4A2
SCHEMBL183363 0.81 MAPT (0.50) TLR8NR4A2MAPTCYP1A2CYP3A4
SCHEMBL28636219 0.81 PRSS1 (0.41) HCAR3TLR8
SCHEMBL29045180 0.81 TYR (0.47) HCAR3
SCHEMBL28615286 0.81 PRSS1 (0.41) HCAR3TLR8
SCHEMBL27595288 0.81 KDM6B (0.48) KDM6BKDM4CHCAR3MAPTCYP2C9

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-5079119-A Photoreceptor KONICA CORPORATION (JP) 1992-01-07 US disclosed