SCHEMBL1972144

SCHEMBL1972144

C[CH]CCCCC(C)Cc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
FDPS P14324 1/20 0.40
PTPRA P18433 1/20 0.40
CYP1A2 P05177 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2C19 P33261 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 1/20 0.35
HRH1 P35367 2/20 0.35
LMNA P02545 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
SCHEMBL21078278 0.83 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20209728 0.81 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3928050 0.81 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Bromide SCHEMBL28096107 0.80 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2352782 0.78 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18430383 0.77 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10970614 0.77 ALDH1A1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16462101 0.76 HRH1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22420947 0.76 FDPS (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22420950 0.76 FDPS (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038356-B8 LIQUID HARDENING UNILEVER PLC (GB) 2011-06-22 EP claimed
EP-2038356-A1 LIQUID HARDENING Unilever PLC (GB) 2009-03-25 EP claimed
WO-2008003652-A1 LIQUID HARDENING UNILEVER PLC (GB) 2008-01-10 WO claimed
EP-2038356-B8 LIQUID HARDENING UNILEVER PLC (GB) 2011-06-22 EP disclosed
WO-2010006861-A1 A PROCESS FOR TREATING STAINS ON FABRIC UNILEVER PLC (GB) 2010-01-21 WO disclosed
EP-2038356-A1 LIQUID HARDENING Unilever PLC (GB) 2009-03-25 EP disclosed
WO-2008003652-A1 LIQUID HARDENING UNILEVER PLC (GB) 2008-01-10 WO disclosed