SCHEMBL23584717

SCHEMBL23584717

Nc1ncnn2c([C@H]3CCC(COCc4ccccc4)O3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.47
▸ HRH3 Q9Y5N1 4/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.37
▸ TNK2 Q07912 4/20 0.36
▸ HSPA5 P11021 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ DOT1L Q8TEK3 1/20 0.34
▸ DRD1 P21728 1/20 0.33
▸ POLRMT O00411 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32

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 1.00 HRH4 (0.47) HRH4HRH3TAAR1TNK2HSPA5
SCHEMBL25948690 0.85 HRH4 (0.45) HRH4HRH3TAAR1HSPA5LMNA
SCHEMBL23584542 0.85 HRH4 (0.45) HRH4HRH3TAAR1HSPA5LMNA
SCHEMBL24160862 0.85 HRH4 (0.49) HRH4HRH3TAAR1TNK2HSPA5
SCHEMBL18666890 0.82 HSPA5 (0.36) HRH4HRH3TAAR1TNK2HSPA5
SCHEMBL24606380 0.81 NPC1 (0.38) LMNADOT1L
SCHEMBL24736805 0.81 PDE4D (0.38) TAAR1HSPA5DOT1L
SCHEMBL20144205 0.80 DOT1L (0.35) TNK2DOT1LPOLRMT
SCHEMBL19343932 0.79 HRH4 (0.54) HRH4HRH3TAAR1LMNADRD1
SCHEMBL19344220 0.79 CYP2A6 (0.39) TNK2LMNADOT1LPOLRMT

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-3426664-B1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-30 — — EP disclosed
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