SCHEMBL6912913

SCHEMBL6912913

O=[C]C1(NC(=O)c2cc3cc(OCCN4CCCC4)ccc3o2)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
TSHR P16473 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ATF4 P18848 1/20 0.44
ADAM17 P78536 4/20 0.43
SIGMAR1 Q99720 3/20 0.42
POLB P06746 2/20 0.42
MCHR1 Q99705 1/20 0.42
PSMB1 P20618 2/20 0.42
PSMB5 P28074 2/20 0.42
PSMB2 P49721 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL5111664 0.86 MAOB (0.49) MAOBTSHRKDM4EATF4ADAM17
SCHEMBL5104760 0.86 MAOB (0.49) MAOBTSHRKDM4EATF4ADAM17
SCHEMBL6912921 0.85 MAOB (0.48) MAOBTSHRKDM4EATF4ADAM17
SCHEMBL5101810 0.80 TACR2 (0.49) MAOBTSHRKDM4EATF4
SCHEMBL4763329 0.80 MAOB (0.57) MAOBTSHRKDM4ESIGMAR1POLB
SCHEMBL443699 0.79 MAOB (0.55) MAOBTSHRKDM4ESIGMAR1POLB
SCHEMBL445130 0.78 KDM4E (0.55) MAOBTSHRKDM4EADAM17SIGMAR1
SCHEMBL14383957 0.76 TSHR (0.53) MAOBTSHRKDM4EADAM17DRD2
SCHEMBL6983907 0.75 KDM4E (0.60) MAOBTSHRKDM4EADAM17DRD2
SCHEMBL416282 0.74 HPGD (0.51) MAOBTSHRKDM4EADAM17MCHR1

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-2004011457-A1 1-PHENYLPIPERIDIN-3-ONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2004-02-05 WO disclosed