SCHEMBL5599733

SCHEMBL5599733

O=C(c1cccc(Cl)c1)N1c2ccc(F)cc2C2(CCNCC2)[C@H]1CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
CHRM1 P11229 3/20 0.39
GNRHR P30968 2/20 0.36
KCNH2 Q12809 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
IDO1 P14902 2/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 3/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5599242 0.93 CYP3A4 (0.38) HSD11B1GNRHRKCNH2HTTSMN1; SMN2
SCHEMBL5600630 0.92 GNRHR (0.36) CHRM1GNRHRKCNH2CHRM2CHRM3
SCHEMBL5780895 0.90 PSEN1 (0.40) HSD11B1CHRM1GNRHRKCNH2CHRM2
SCHEMBL5600187 0.88 HSD11B1 (0.41) HSD11B1KCNH2SMN1; SMN2LMNA
SCHEMBL5787489 0.86 HSD11B1 (0.43) HSD11B1ALDH1A1MGLL
SCHEMBL5599389 0.84 GNRHR (0.40) HSD11B1CHRM1GNRHRKCNH2CHRM2
SCHEMBL5599374 0.84 GNRHR (0.40) HSD11B1CHRM1GNRHRKCNH2CHRM2
SCHEMBL5781400 0.84 HSD11B1 (0.35) HSD11B1GNRHRKCNH2PSEN1PSEN2
SCHEMBL5599358 0.84 PARP1 (0.36) CHRM1GNRHRKCNH2PSEN1PSEN2
SCHEMBL5600002 0.83 P2RX7 (0.37) CHRM1GNRHRKCNH2GRM5PSEN1

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 3 patents. 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
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed