SCHEMBL817345

SCHEMBL817345

C=Cc1ccccc1C(C)C1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.38
SLC6A4 P31645 20/20 0.38
SLC6A3 Q01959 18/20 0.37
CYP2D6 P10635 2/20 0.34

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
SCHEMBL817514 0.92 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL818716 0.91 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL817736 0.76 ALDH1A1 (0.34)
SCHEMBL28236498 0.76 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL817591 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL28119636 0.73 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL28000697 0.73 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL28296797 0.73 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL10514170 0.72 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL29202362 0.69 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4039504-B1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER IND (JP) 2023-10-25 EP disclosed
EP-4039504-A1 RUBBER COMPOSITION AND TIRE Sumitomo Rubber Industries, Ltd. (JP) 2022-08-10 EP disclosed
US-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed
US-20110245398-A1 METHOD FOR PRODUCING CONJUGATED DIENE POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 US disclosed