SCHEMBL817514

SCHEMBL817514

C=Cc1ccccc1C(C)C1CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
CCNT1 O60563 1/20 0.35
CCNK O75909 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
SLC6A3 Q01959 1/20 0.33
CDK7 P50613 3/20 0.32
CCNH P51946 3/20 0.32
MNAT1 P51948 3/20 0.32
CCR8 P51685 1/20 0.31

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
SCHEMBL817345 0.92 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL818716 0.82 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL29202362 0.78 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CCR8
SCHEMBL28119636 0.77 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL817946 0.77 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CCR8
SCHEMBL19121854 0.74 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL817736 0.74 ALDH1A1 (0.34)
SCHEMBL28236498 0.74 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL23848197 0.70 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL816891 0.69 DRD2 (0.41)

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