SCHEMBL5599739

SCHEMBL5599739

O=C(C1CCCCC1)N1c2ccc(F)cc2C2(CCNCC2)C1CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
KDM1A O60341 2/20 0.34
TP53 P04637 3/20 0.34
LMNA P02545 2/20 0.34
DPP4 P27487 1/20 0.34
HSD11B1 P28845 1/20 0.34
GNRHR P30968 1/20 0.34
KCNH2 Q12809 1/20 0.34
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
USP2 O75604 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
CRHR1 P34998 2/20 0.31

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
SCHEMBL5599755 0.99 KDM1A (0.35) OPRM1OPRK1OPRL1KDM1ATP53
SCHEMBL5599714 0.97 LMNA (0.36) OPRM1OPRK1OPRL1KDM1ATP53
SCHEMBL5778387 0.86 OPRM1 (0.35) OPRM1OPRK1OPRL1KDM1ATP53
SCHEMBL5783158 0.85 BCHE (0.38) OPRM1OPRK1OPRL1HSD11B1MEN1
SCHEMBL5599511 0.85 TP53 (0.39) KDM1ATP53CRHR1ALDH1A1RAB9A
SCHEMBL5616077 0.85 TPSAB1 (0.38) OPRM1OPRK1OPRL1KDM1ADPP4
SCHEMBL5599230 0.84 TPSAB1 (0.38) OPRM1OPRK1OPRL1KDM1ADPP4
SCHEMBL5599816 0.83 TP53 (0.38) OPRM1OPRK1OPRL1KDM1ATP53
SCHEMBL5599501 0.82 KDM1A (0.37) OPRM1OPRK1OPRL1KDM1ATP53
SCHEMBL5599358 0.82 PARP1 (0.36) KDM1ATP53DPP4GNRHRKCNH2

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-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed