SCHEMBL9023787

SCHEMBL9023787

CCCCc1ccc(N(c2ccnc(COC)c2OC)C2CCCCC2)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 4/20 0.35
TRPM8 Q7Z2W7 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
NPC1 O15118 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
SCHEMBL8840588 0.75 CYP2D6 (0.38) TRPM8
SCHEMBL8840512 0.74 KCNA3 (0.38) TRPM8NPC1RAB9A
SCHEMBL8840401 0.72 BCHE (0.31)
Hydrochloric Acid SCHEMBL8840537 0.66 JAK2 (0.31) TRPM8
SCHEMBL9040850 0.65 NPC1 (0.42) TRPM8THRBNPC1HPGDMAPK1
SCHEMBL8840445 0.64 TRPM8 (0.35) TRPM8
Hydrochloric Acid SCHEMBL8415221 0.63 TRPM8 (0.35) TRPM8NPC1
SCHEMBL8840434 0.62 JAK3 (0.36) TRPM8THRBNPC1RAB9ANPSR1
SCHEMBL31545500 0.61 NUDT1 (0.52) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL8840576 0.61 TRPM8 (0.32) TRPM8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719255-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007890-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed