SCHEMBL18870833

SCHEMBL18870833

C/C=C(\C)c1cnc(C)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.53
▸ HRH1 P35367 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ FDPS P14324 1/20 0.33
▸ CYP2A6 P11509 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ROCK1 Q13464 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
SCHEMBL19578163 0.80 BAZ2B (0.47) BAZ2BHRH1HRH4
SCHEMBL889025 0.76 — —
SCHEMBL889052 0.72 BAZ2B (0.47) BAZ2BHRH1HRH4FDPSROCK1
Water SCHEMBL5369986 0.70 BAZ2B (0.53) BAZ2BHRH1HRH4FDPSTSHR
SCHEMBL759817 0.70 — —
SCHEMBL5335887 0.69 BAZ2B (0.48) BAZ2BHRH1HRH4FDPSROCK1
SCHEMBL19935247 0.67 BAZ2B (0.42) BAZ2B
SCHEMBL18415312 0.67 BAZ2B (0.50) BAZ2BHRH1HRH4FDPSTSHR
SCHEMBL19913401 0.67 BAZ2B (0.50) BAZ2BHRH1HRH4FDPSCYP2A6
SCHEMBL6106392 0.65 HTT (0.44) BAZ2B

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
EP-2900656-B1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO LTD (CN) 2017-05-17 — — EP disclosed
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