SCHEMBL1709409

SCHEMBL1709409

O=C(O)CC1CCCC(N(CC2CCCCC2)CC2CCCCC2)C1c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
HSD11B1 P28845 4/20 0.37
AGER Q15109 2/20 0.36
MTNR1A P48039 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DGAT1 O75907 2/20 0.33
PKM P14618 1/20 0.33
DPEP1 P16444 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
MGLL Q99685 1/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL1709410 0.92 POLB (0.35) POLBRAB9ASMN1; SMN2SIGMAR1HSD11B1
SCHEMBL1709408 0.89 DGAT1 (0.38) DGAT1
SCHEMBL1709407 0.89 TP53 (0.39) RAB9ASMN1; SMN2MEN1KMT2APAX8
SCHEMBL1709480 0.88 NPC1 (0.38) RAB9ASMN1; SMN2AGERDGAT1
SCHEMBL1709359 0.88 USP30 (0.38) RAB9ASMN1; SMN2SLC6A2SLC6A4DGAT1
SCHEMBL1709405 0.88 TACR1 (0.38) HSD11B1DGAT1DPEP1HTR2AHTR2C
SCHEMBL1709489 0.87 OPRM1 (0.37) SLC6A2SLC6A4DGAT1PKM
SCHEMBL10032831 0.86 TACR1 (0.36) HSD11B1DGAT1DPEP1HTR2AHTR2C
SCHEMBL10033121 0.86 USP30 (0.38) RAB9ASIGMAR1KMT2APAX8
SCHEMBL10032832 0.86 TACR1 (0.36) HSD11B1DGAT1DPEP1HTR2AHTR2C

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-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed