SCHEMBL5599473

SCHEMBL5599473

O=C(c1cccc(C(Cl)Cl)c1)N1c2ccccc2C2(CCNCC2)[C@H]1CC1CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.34
TPSD1 Q9BZJ3 2/20 0.34
TPSG1 Q9NRR2 2/20 0.34
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL5781993 1.00 TPSAB1 (0.34) TPSAB1TPSD1TPSG1GABRDGABRA1
SCHEMBL5785402 0.86 GABRD (0.31) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL5814088 0.79 TACR1 (0.38) SMN1; SMN2
SCHEMBL5599242 0.78 CYP3A4 (0.38) TP53SMN1; SMN2MEN1KMT2A
SCHEMBL5599733 0.77 HSD11B1 (0.40) SMN1; SMN2
SCHEMBL5781810 0.76 GNRHR (0.35)
SCHEMBL5783158 0.74 BCHE (0.38) MEN1KMT2ABRD4
SCHEMBL5787489 0.73 HSD11B1 (0.43) MEN1KMT2A
SCHEMBL5600630 0.72 GNRHR (0.36)
SCHEMBL5780895 0.72 PSEN1 (0.40)

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