SCHEMBL248803

SCHEMBL248803

c1ccc(CC2CCCN3CCCCCCCCC23)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.51
▸ SLC18A3 Q16572 1/20 0.51
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL9850474 0.90 SLC18A3 (0.54) SLC18A3SIGMAR1
SCHEMBL28954933 0.80 POLB (0.52) —
SCHEMBL9631247 0.76 CYP2D6 (0.51) SLC18A3SIGMAR1
SCHEMBL7396879 0.74 HTT (0.50) TSHRHTT
SCHEMBL27869836 0.72 HSD11B1 (0.42) SLC18A3
SCHEMBL11591641 0.72 PTGS1 (0.54) SLC18A3
SCHEMBL25698186 0.72 PTGS1 (0.54) SLC18A3
SCHEMBL25698182 0.72 PTGS1 (0.54) SLC18A3
SCHEMBL25698181 0.71 ALDH1A1 (0.46) —
SCHEMBL24700291 0.71 SIGMAR1 (0.38) SLC18A3TSHRHTTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020202076-A1 METHOD OF IRRADIATING A COMPOSITION THROUGH A SUBSTRATE 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-10-08 — — WO disclosed
EP-2588537-A1 CURABLE-ON-DEMAND COMPOSITION COMPRISING DUAL REACTIVE SILANE FUNCTIONALITY 3M Innovative Properties Company (US) 2013-05-08 — — EP disclosed
EP-2588536-A1 CURABLE-ON-DEMAND POLYSILOXANE COATING COMPOSITION 3M Innovative Properties Company (US) 2013-05-08 — — EP disclosed
WO-2012003152-A1 CURABLE-ON-DEMAND COMPOSITION COMPRISING DUAL REACTIVE SILANE FUNCTIONALITY 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-05 — — WO disclosed
WO-2012003153-A1 CURABLE-ON-DEMAND POLYSILOXANE COATING COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-05 — — WO disclosed
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