SCHEMBL29886780

SCHEMBL29886780

CCN(CC)C(=O)Oc1ccc(F)c(Cl)c1C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SLC6A2 P23975 6/20 0.38
▸ SLC6A4 P31645 6/20 0.38
▸ SLC6A3 Q01959 6/20 0.38
▸ HTR1A P08908 4/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36

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
SCHEMBL23216381 1.00 LMNA (0.44) LMNASMN1; SMN2TSHRKDM4EMEN1
SCHEMBL23214856 0.88 LMNA (0.44) LMNASMN1; SMN2TSHRKDM4EMEN1
SCHEMBL29885964 0.88 LMNA (0.44) LMNASMN1; SMN2TSHRKDM4EMEN1
SCHEMBL29886227 0.87 LMNA (0.44) LMNASMN1; SMN2TSHRKDM4EMEN1
SCHEMBL23216873 0.87 LMNA (0.44) LMNASMN1; SMN2TSHRKDM4EMEN1
SCHEMBL23214924 0.79 GPR119 (0.44) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL29886345 0.79 GPR119 (0.44) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL22208756 0.78 LMNA (0.59) LMNASMN1; SMN2TSHRKDM4EMEN1
SCHEMBL31697111 0.78 LMNA (0.59) LMNASMN1; SMN2TSHRKDM4EMEN1
SCHEMBL31697274 0.76 LMNA (0.53) LMNASMN1; SMN2TSHRKDM4EMEN1

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-4041407-A1 ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 — — EP disclosed
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