SCHEMBL18664802

SCHEMBL18664802

CCC1CCN(c2ccc(N(C)C)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.43
LCAT P04180 1/20 0.42
CDK1 P06493 1/20 0.42
MAP4K4 O95819 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGDS O60760 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
MAPT P10636 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL18664830 0.86 CHRNB4 (0.36) HRH3LCATMAP4K4HPGDSCHRNB2
SCHEMBL15859901 0.81 CDK1 (0.45) HRH3CDK1MEN1KMT2AHRH4
SCHEMBL784764 0.81 LCAT (0.41) LCATHPGDSHRH4
SCHEMBL16769754 0.78 LCAT (0.45) HRH3LCATMEN1KMT2AHPGDS
SCHEMBL16648684 0.78 MAPT (0.56) MEN1KMT2AMAPT
SCHEMBL27902608 0.78 LCAT (0.38) HRH3LCATCHRNB2CHRNA4MAPT
SCHEMBL18664911 0.78 HRH3 (0.57) HRH3CDK1MEN1KMT2AMAPT
SCHEMBL23515063 0.75 NPC1 (0.43) LCATMAP4K4MEN1KMT2AMAPT
SCHEMBL23515151 0.74 DOT1L (0.41) LCATMAP4K4HRH4
SCHEMBL25085543 0.74 HRH3 (0.39) HRH3

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-2017049173-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO disclosed