SCHEMBL18653145

SCHEMBL18653145

C=CNc1ccc([C@H](C)CCCC)cc1C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL21565742 0.78 LMNA (0.42) GAAHPGDSMN1; SMN2
SCHEMBL24218261 0.77 HDAC8 (0.33) GAAHPGDSMN1; SMN2
SCHEMBL18653070 0.77 SMN1; SMN2 (0.36) GAAHPGDSMN1; SMN2
SCHEMBL18653238 0.76 LMNA (0.35) GAAHPGD
SCHEMBL20707118 0.75 SMN1; SMN2 (0.39) GAAHPGDSMN1; SMN2
SCHEMBL18653128 0.71 SMN1; SMN2 (0.34) GAAHPGDSMN1; SMN2
SCHEMBL18653224 0.70 SMN1; SMN2 (0.35) GAAHPGDSMN1; SMN2
SCHEMBL6685021 0.70 RIPK1 (0.40) —
SCHEMBL25851889 0.70 CYP3A4 (0.39) —
SCHEMBL21323167 0.68 RAPGEF4 (0.37) SMN1; SMN2

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-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 — — EP disclosed
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