SCHEMBL818716

SCHEMBL818716

C=Cc1ccccc1C(C)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.41
SLC6A4 P31645 9/20 0.41
SLC6A3 Q01959 7/20 0.41
HTR2C P28335 2/20 0.33
OPRD1 P41143 1/20 0.33
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL817345 0.91 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL817514 0.82 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL28119636 0.76 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL817736 0.76 ALDH1A1 (0.34)
SCHEMBL818794 0.74 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR2COPRD1
SCHEMBL28236498 0.73 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL640982 0.72 ALDH1A1 (0.43) SLC6A2SLC6A4HTR2C
SCHEMBL15058450 0.71 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL4812150 0.71 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL30344549 0.70 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3OPRD1

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
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
EP-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 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