SCHEMBL8437889

SCHEMBL8437889

COC(=O)c1cc2c(o1)CN(Cc1ccccc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ABCB1 P08183 1/20 0.47
HPGD P15428 1/20 0.46
ACHE P22303 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
CHRM3 P20309 1/20 0.45
DRD4 P21917 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
REV1 Q9UBZ9 1/20 0.44

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
SCHEMBL27463494 0.86 ADORA1 (0.48) HPGDDRD4HTR2BTMEM97SIGMAR1
SCHEMBL23044593 0.77 MEN1 (0.57) ABCB1LMNAKDM4ESMN1; SMN2
SCHEMBL3968486 0.77 ACACB (0.69) POLBHPGDACHECHRM2HTR1A
SCHEMBL8434587 0.76 FAAH (0.47) HPGDKDM4ESMN1; SMN2
SCHEMBL26020911 0.76 SLC6A5 (0.47) POLBABCB1HPGDACHECHRM2
SCHEMBL10851765 0.74 SIGMAR1 (0.56) ABCB1ACHECHRM2HTR1ACHRM3
SCHEMBL2884092 0.74 CHRM2 (0.54) HPGDCHRM2CHRM3LMNASMN1; SMN2
SCHEMBL28028121 0.74 CHRM2 (0.51) CHRM2CHRM3SMN1; SMN2
SCHEMBL4350099 0.73 CHRM2 (0.50) CHRM2CHRM3LMNAKDM4ESMN1; SMN2
SCHEMBL3546944 0.73 CHRM2 (0.53) ABCB1CHRM2CHRM3LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed