SCHEMBL7493404

SCHEMBL7493404

Cc1n[c]c2sccc2n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.37
▸ ADORA1 P30542 4/20 0.37
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 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
SCHEMBL7491775 0.77 ADORA2A (0.44) ADORA2AADORA1
SCHEMBL7494497 0.74 ADORA2A (0.36) ADORA2AADORA1
SCHEMBL7486631 0.70 PDE4A (0.41) —
SCHEMBL5926130 0.69 ADORA2A (0.31) ADORA2AADORA1
SCHEMBL577965 0.69 KDM4E (0.47) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL61008 0.64 ADORA2A (0.49) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL1601774 0.64 — —
SCHEMBL857662 0.64 LMNA (0.39) HPGDPOLB
SCHEMBL16863968 0.63 ADORA2A (0.44) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL2162809 0.62 KDM4E (0.41) ADORA2AADORA1NPC1HPGDRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915093-B1 AMIDE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-11-27 — — EP disclosed
US-6166016-A Amide derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-12-26 — — US disclosed
EP-0915093-A1 AMIDE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-05-12 — — EP disclosed
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