SCHEMBL5599482

SCHEMBL5599482

C=CC[C@H]1N(C(=O)c2ccccc2F)c2ccccc2C12CCNCC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
TSHR P16473 2/20 0.34
SMYD3 Q9H7B4 2/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK14 Q16539 1/20 0.33
LMNA P02545 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL5599667 0.93 ATM (0.37) HTTTSHRSMN1; SMN2
SCHEMBL5781243 0.90 CYP1A2 (0.36) HSD11B1CYP2C9CYP2C19LMNAKMT2A
SCHEMBL5778222 0.89 SMYD3 (0.34) HTTTSHRSMYD3LMNAOPRM1
SCHEMBL5784794 0.88 RXFP1 (0.42) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL5783958 0.86 PAX8 (0.41) SMYD3
SCHEMBL5599757 0.85 SIGMAR1 (0.40) HTTTSHRCYP2C9CYP2C19MAPK14
SCHEMBL5599317 0.83 GNRHR (0.34) HTTTSHRSMYD3
SCHEMBL5783811 0.83 HTT (0.36) HTTTSHRSMYD3HSD11B1CYP2C9
SCHEMBL5780422 0.83 P2RX7 (0.36) CYP2C19ALDH1A1
SCHEMBL5786885 0.82 GNRHR (0.33) MEN1KMT2AKDM4E

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