SCHEMBL5599714

SCHEMBL5599714

O=C(C1CCC1)N1c2ccc(F)cc2C2(CCNCC2)C1CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
KDM1A O60341 2/20 0.35
DPP4 P27487 1/20 0.34
GNRHR P30968 1/20 0.34
KCNH2 Q12809 1/20 0.34
TP53 P04637 3/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
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

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 0.98 KDM1A (0.35) LMNAKDM1ADPP4GNRHRKCNH2
SCHEMBL5599739 0.97 OPRM1 (0.36) LMNAKDM1ADPP4GNRHRKCNH2
SCHEMBL5599816 0.86 TP53 (0.38) LMNAKDM1ADPP4GNRHRKCNH2
SCHEMBL5599230 0.85 TPSAB1 (0.38) KDM1ADPP4GNRHRKCNH2OPRM1
SCHEMBL5616077 0.84 TPSAB1 (0.38) KDM1ADPP4GNRHRKCNH2OPRM1
SCHEMBL5778387 0.83 OPRM1 (0.35) LMNAKDM1ADPP4GNRHRKCNH2
SCHEMBL5599501 0.83 KDM1A (0.37) KDM1ADPP4GNRHRKCNH2TP53
SCHEMBL5783985 0.83 DPP4 (0.34) KDM1ADPP4GNRHRKCNH2TP53
SCHEMBL5599358 0.83 PARP1 (0.36) KDM1ADPP4GNRHRKCNH2TP53
SCHEMBL5599511 0.82 TP53 (0.39) KDM1ATP53CRHR1CNR2

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