SCHEMBL19787930

SCHEMBL19787930

Cc1ccc(CCc2ccc(C)nn2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.42
▸ CCR1 P32246 1/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ CCR8 P51685 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ SYK P43405 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ P2RX3 P56373 6/20 0.35
▸ P2RX2 Q9UBL9 6/20 0.35
▸ DAO P14920 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ ADRA2A P08913 2/20 0.32

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
SCHEMBL18682734 0.85 CCR1 (0.52) PDE10ACCR1CCR5CCR8HDAC6
SCHEMBL18500854 0.83 CCR1 (0.30) PDE10ACCR1CCR5CCR8HDAC6
SCHEMBL18576848 0.81 CYP2D6 (0.34) HDAC6MAPT
SCHEMBL25719539 0.78 PDE10A (0.43) PDE10ACCR1CCR5CCR8HDAC6
SCHEMBL18648928 0.78 TSHR (0.43) PDE10ACCR1CCR5CCR8HDAC6
SCHEMBL8269251 0.76 DHFR (0.45) PDE10ACCR1CCR5CCR8HDAC6
SCHEMBL18772897 0.76 PDE10A (0.44) PDE10ACCR1CCR5CCR8HDAC6
SCHEMBL18500836 0.76 TSHR (0.31) GABRA1GABRA5
SCHEMBL991122 0.75 CCR1 (0.46) PDE10ACCR1CCR5CCR8HDAC6
SCHEMBL19369541 0.74 PDE10A (0.43) PDE10ACCR1CCR5CCR8HDAC6

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
US-9876173-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-01-23 — — US disclosed
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