SCHEMBL9280185

SCHEMBL9280185

CC(CN1CC(F)C1)C(C)N(C)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MCHR1 Q99705 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PDK2 Q15119 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM2B Q8NHM5 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM3 P20309 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
SCHEMBL9275071 0.89 HRH3 (0.41) P2RX7USP2ALOX15MCHR1TSHR
SCHEMBL9275011 0.88 ALDH1A1 (0.36) L3MBTL1NPSR1OPRD1CHRM2CHRM3
SCHEMBL9275199 0.88 OPRK1 (0.36) TSHR
SCHEMBL9102666 0.85 P2RX7 (0.38) P2RX7USP2ALOX15MCHR1TSHR
SCHEMBL9102655 0.85 P2RX7 (0.38) P2RX7USP2ALOX15MCHR1TSHR
SCHEMBL9287812 0.84 HTR7 (0.38) L3MBTL1MEN1KMT2A
SCHEMBL9280325 0.84 USP2 (0.50) USP2ALOX15MCHR1TSHRNTSR1
SCHEMBL9277511 0.83 HDAC8 (0.45) P2RX7
SCHEMBL9274530 0.82 HRH3 (0.44) USP2ALOX15TSHRCHRM2CHRM3
SCHEMBL9278651 0.81 P2RX7 (0.38) P2RX7USP2ALOX15MCHR1TSHR

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-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO disclosed
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