SCHEMBL29844265

SCHEMBL29844265

O=c1[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)nccc2n1C1CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 3/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ TNKS O95271 7/20 0.34
▸ TNKS2 Q9H2K2 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL23216905 1.00 C5AR1 (0.36) C5AR1OPRM1OPRK1OPRL1DRD2
SCHEMBL25616566 0.87 CHRM1 (0.44) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL29844326 0.86 TSHR (0.38) C5AR1OPRM1OPRK1OPRL1DRD2
SCHEMBL23216978 0.86 TSHR (0.38) C5AR1OPRM1OPRK1OPRL1DRD2
SCHEMBL23216993 0.78 ALDH1A1 (0.40) C5AR1OPRM1ALDH1A1LMNATNKS
SCHEMBL28076562 0.77 CALCRL (0.40) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL28076558 0.77 CALCRL (0.40) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL28233724 0.76 BTK (0.37) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL29471042 0.74 OPRM1 (0.46) OPRM1OPRK1DRD2DRD4DRD3
SCHEMBL25226857 0.72 CHRM2 (0.41) OPRM1OPRK1OPRL1DRD2DRD4

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-4041401-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES Dana-Farber Cancer Institute, Inc. (US) 2022-08-17 — — EP disclosed
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