SCHEMBL10684339

SCHEMBL10684339

C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)o2)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRNB2 P17787 4/20 0.38
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
CHRNA7 P36544 4/20 0.38
CHRNA4 P43681 4/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
PKM P14618 1/20 0.34
MAPK1 P28482 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
SCHEMBL10683557 1.00 HRH3 (0.39) HRH3NPC1HSD17B10CHRNB2CHRNB4
SCHEMBL9820846 0.78 HRH3 (0.47) HRH3NPC1HSD17B10CRHBPCRHR2
SCHEMBL10682399 0.77 MITF (0.32) KMT2AMEN1
SCHEMBL10685828 0.77 FFAR1 (0.38) HRH3KMT2AMEN1
SCHEMBL10684334 0.74 SMN1; SMN2 (0.38) HRH3NPC1HSD17B10KMT2AMEN1
SCHEMBL10683685 0.74 SMN1; SMN2 (0.38) HRH3NPC1HSD17B10KMT2AMEN1
SCHEMBL10685814 0.72 SIGMAR1 (0.39) HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9820772 0.71 NPC1 (0.44) HRH3NPC1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL10678316 0.70 MAPT (0.39) KMT2AMEN1CYP2C19PKMMAPK1
SCHEMBL10682262 0.64 ALDH1A1 (0.42) HRH3NPC1HSD17B10KMT2AMEN1

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-4743602-A AND CORRESPONDING FURANS, PYRROLES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-10 US disclosed