SCHEMBL23601164

SCHEMBL23601164

Cc1cccc(-c2ccc(N3CCNCC3)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.57
▸ CACNA1C Q13936 1/20 0.57
▸ ASIC3 Q9UHC3 1/20 0.57
▸ ADRB1 P08588 1/20 0.51
▸ HTR7 P34969 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ HTR1D P28221 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ HTR3A P46098 1/20 0.51
▸ HTR6 P50406 1/20 0.51
▸ TLR9 Q9NR96 3/20 0.50
▸ TLR8 Q9NR97 3/20 0.50
▸ TLR7 Q9NYK1 3/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ GPR119 Q8TDV5 1/20 0.49
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47

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
SCHEMBL15244897 0.90 KCNH2 (0.56) KCNH2CACNA1CASIC3HTR7HTR1A
SCHEMBL15244966 0.90 KCNH2 (0.56) KCNH2CACNA1CASIC3HTR7HTR1A
SCHEMBL23601153 0.87 CNR2 (0.58) TLR9TLR8TLR7CNR2
SCHEMBL15344195 0.84 FYN (0.53) HTR3ATLR9TLR8TLR7CNR2
SCHEMBL4582036 0.83 ADRB1 (0.54) ADRB1HTR7HTR1AHTR1DHTR2A
SCHEMBL24721023 0.83 TLR9 (0.53) KCNH2CACNA1CASIC3HTR2CTLR9
SCHEMBL3442195 0.82 GPR119 (0.59) KCNH2CACNA1CASIC3ADRB1HTR7
SCHEMBL19497006 0.81 NTRK1 (0.53) KCNH2CACNA1CASIC3TLR9TLR8
SCHEMBL23601155 0.79 DPP4 (0.63) TLR8TLR7CNR2RET
SCHEMBL23601163 0.79 CNR2 (0.46) TLR9TLR8TLR7CNR2RET

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 — — WO disclosed
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