SCHEMBL5785402

SCHEMBL5785402

C=CC[C@H]1N(C(=O)c2cccc(C(Cl)Cl)c2)c2ccccc2C12CCNCC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5781810 0.90 GNRHR (0.35)
SCHEMBL5781993 0.86 TPSAB1 (0.34) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL5599473 0.86 TPSAB1 (0.34) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL5599673 0.83 POLB (0.46) SMN1; SMN2
SCHEMBL5781243 0.79 CYP1A2 (0.36) TP53
SCHEMBL5784794 0.79 RXFP1 (0.42) TP53
SCHEMBL5599482 0.77 HTT (0.37) SMN1; SMN2
SCHEMBL5599667 0.77 ATM (0.37) SMN1; SMN2
SCHEMBL5599757 0.75 SIGMAR1 (0.40) TP53SMN1; SMN2
SCHEMBL5781865 0.74 BCHE (0.36)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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