SCHEMBL17243449

SCHEMBL17243449

CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2c1cc(N(c1ccccc1)c1ccc(-c3ccc(-c4ccccc4)cc3)cc1)c1ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL17243466 1.00 LPL (0.34) LPLLIPGESR1ESR2CHRNA1
SCHEMBL10034354 0.99 LPL (0.34) LPLLIPGESR1ESR2CHRNA1
SCHEMBL16219660 0.94 LPL (0.31) LPLLIPG
SCHEMBL16219672 0.94 LPL (0.31) LPLLIPG
SCHEMBL16219673 0.92 PDK2 (0.32)
SCHEMBL17153676 0.92 PDK2 (0.33)
SCHEMBL16201740 0.91
SCHEMBL16219632 0.91 RXRA (0.30)
SCHEMBL16219661 0.90 PDK2 (0.31)
SCHEMBL17243465 0.88 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9184395-B2 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2015-11-10 US disclosed
US-9184395-B2 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2015-11-10 US disclosed