SCHEMBL3717529

SCHEMBL3717529

COC(=O)C(C)COc1ccc(CN)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.51
MAOB P27338 2/20 0.45
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
TSHR P16473 2/20 0.44
CNR1 P21554 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
LTA4H P09960 1/20 0.42

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
SCHEMBL8409668 0.84 FFAR1 (0.46) LOXL2MAOBLMNATDP1ADRB2
SCHEMBL22651641 0.83 ALDH1A1 (0.51) ADRB2ADRB1TSHRMMP2MMP3
SCHEMBL7749771 0.81 MAPT (0.51) MAOBTDP1TSHRKDM4EMMP2
SCHEMBL1808357 0.81 TDP1 (0.44) LMNATDP1ADRB2ADRB1TSHR
SCHEMBL12384285 0.80 MTNR1A (0.58) LMNAADRB2ADRB1
SCHEMBL11780675 0.78 ALDH1A1 (0.50) LMNAADRB2ADRB1TSHRMMP2
SCHEMBL7045834 0.78 MAPT (0.54) MAOBLMNACYP1A2MMP2MMP3
Acetic Acid SCHEMBL3075493 0.78 ACACB (0.51) MAOBKDM4EACACB
SCHEMBL5380750 0.77 MAOB (0.42) MAOB
SCHEMBL16379337 0.77 ALDH1A1 (0.50) MAOBLMNA

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
WO-2010111353-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010111353-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed