SCHEMBL7967548

SCHEMBL7967548

COc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(ccc(C)c3C)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.41
AKR1C3 P42330 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ADAM17 P78536 1/20 0.37
MEN1 O00255 1/20 0.37
PRKDC P78527 1/20 0.37
PTGDR Q13258 1/20 0.36
HTT P42858 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SLC6A2 P23975 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
SCHEMBL7021746 0.86 MAOB (0.33) KMT2AMEN1SLC6A4SLC6A3
SCHEMBL7972739 0.79 MAPT (0.43) MAPTL3MBTL1RAB9AAKR1C3KMT2A
SCHEMBL6360325 0.79 MAPT (0.43) MAPTL3MBTL1RAB9AAKR1C3KMT2A
SCHEMBL7456709 0.71 KMT2A (0.42) MAPTRAB9AKMT2AKDM4EALDH1A1
SCHEMBL2208450 0.71 AKR1C3 (0.68) MAPTL3MBTL1RAB9AAKR1C3KMT2A
SCHEMBL4349056 0.70 AKR1C3 (0.66) MAPTL3MBTL1RAB9AAKR1C3KMT2A
SCHEMBL28097254 0.69 AKR1C3 (0.44) MAPTL3MBTL1RAB9AAKR1C3KMT2A
SCHEMBL7456060 0.68 MAPT (0.39) MAPTRAB9AKMT2AKDM4EALDH1A1
Nitrogen SCHEMBL7794313 0.67 AKR1C3 (0.62) MAPTL3MBTL1RAB9AAKR1C3KMT2A
SCHEMBL18415522 0.67 AKR1C3 (0.62) MAPTL3MBTL1RAB9AAKR1C3KMT2A

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-2001012619-A1 RAPID FADING PHOTO-RESPONSIVE MATERIALS JAMES ROBINSON LIMITED (GB) 2001-02-22 WO disclosed