SCHEMBL19343932

SCHEMBL19343932

c1ccc(COCC2CC[C@H](c3ccc4cncnn34)O2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.54
▸ HRH3 Q9Y5N1 4/20 0.54
▸ LMNA P02545 1/20 0.36
▸ DRD1 P21728 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ TAS2R8 Q9NYW2 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CYP2A6 P11509 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
SCHEMBL20144183 0.79 HRH4 (0.47) HRH4HRH3LMNADRD1TAAR1
SCHEMBL23584717 0.79 HRH4 (0.47) HRH4HRH3LMNADRD1TAAR1
SCHEMBL20144193 0.79 CYP2A6 (0.45) HRH4HRH3CYP2A6
SCHEMBL18667091 0.79 CYP2A6 (0.45) HRH4HRH3CYP2A6
SCHEMBL23584542 0.77 HRH4 (0.45) HRH4HRH3LMNADRD1TAAR1
SCHEMBL25948690 0.77 HRH4 (0.45) HRH4HRH3LMNADRD1TAAR1
SCHEMBL24160862 0.76 HRH4 (0.49) HRH4HRH3LMNADRD1TAAR1
SCHEMBL23369202 0.70 HRH4 (0.52) HRH4HRH3LMNADRD1TAAR1
SCHEMBL20231377 0.68 HRH4 (0.56) HRH4HRH3LMNADRD1TAAR1
SCHEMBL20234410 0.68 HRH4 (0.56) HRH4HRH3LMNADRD1TAAR1

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-2017153186-A1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-14 — — WO disclosed
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