SCHEMBL817044

SCHEMBL817044

C=Cc1cccc(CCN2CCCCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.58
SLC6A3 Q01959 3/20 0.58
SIGMAR1 Q99720 4/20 0.57
DRD2 P14416 1/20 0.48
SLC6A4 P31645 1/20 0.48
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MBTD1 Q05BQ5 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL610234 1.00 HRH3 (0.58) HRH3SLC6A3SIGMAR1DRD2SLC6A4
SCHEMBL614107 0.98 HRH3 (0.59) HRH3SLC6A3SIGMAR1DRD2SLC6A4
SCHEMBL28086789 0.93 SLC6A3 (0.54) HRH3SLC6A3SIGMAR1DRD2SLC6A4
SCHEMBL610457 0.92 SIGMAR1 (0.53) HRH3SLC6A3SIGMAR1DRD2FAAH
SCHEMBL22813631 0.89 SLC6A3 (0.61) HRH3SLC6A3SIGMAR1DRD2SLC6A4
SCHEMBL13959137 0.84 HRH3 (0.58) HRH3SLC6A3SIGMAR1DRD2SLC6A4
SCHEMBL609148 0.84 SMN1; SMN2 (0.58) HRH3FAAH
SCHEMBL817090 0.84 SMN1; SMN2 (0.58) HRH3FAAH
SCHEMBL17538318 0.83 HRH3 (0.59) HRH3SLC6A3SIGMAR1DRD2SLC6A4
SCHEMBL30889265 0.82 PRMT6 (0.57) HRH3L3MBTL3L3MBTL1MBTD1FAAH

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 3 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