SCHEMBL22339068

SCHEMBL22339068

CCc1cc(C)ncc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 8/20 0.40
▸ SLC6A4 P31645 8/20 0.40
▸ SLC6A3 Q01959 7/20 0.40
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ P2RX3 P56373 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ UHRF1 Q96T88 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ MAPT P10636 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
SCHEMBL20642383 0.86 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL19508069 0.79 P2RX3 (0.35) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL12190658 0.79 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL7117731 0.78 NOS3 (0.48) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL19699399 0.78 P2RX3 (0.35) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL22416468 0.76 NOS3 (0.40) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL10496086 0.76 NOS3 (0.47) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL12848758 0.75 UHRF1 (0.41) SLC6A2SLC6A4SLC6A3UHRF1CYP1A2
SCHEMBL19699682 0.75 P2RX3 (0.42) P2RX3P2RX2
SCHEMBL18929225 0.75 NOS3 (0.39) SLC6A2SLC6A4SLC6A3NOS3NOS1

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-2020163323-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2020-08-13 — — WO disclosed
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