SCHEMBL817735

SCHEMBL817735

C=C(CCC1CN1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.40
MAOB P27338 6/20 0.40
GRIK2 Q13002 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL817994 0.81 MAOA (0.42) MAOAMAOBGRIK2ALDH1A1MAPT
SCHEMBL10013355 0.76 MAOA (0.41) MAOAMAOBSLC6A4SLC6A3KMT2A
SCHEMBL817344 0.75 KMT2A (0.57) MAOBSLC6A4SLC6A3KMT2A
SCHEMBL7990104 0.75 MAOA (0.56) MAOAMAOBSLC6A4SLC6A3KMT2A
SCHEMBL11705308 0.74 MAOA (0.40) MAOAMAOBSLC6A4SLC6A3USP2
SCHEMBL818715 0.74 GBA1 (0.47) MAOAMAOBSLC6A4KMT2ALMNA
SCHEMBL31093189 0.74 MTNR1A (0.46) MAOAMAOBSLC6A4SLC6A3MAPT
SCHEMBL1536703 0.73 MAOA (0.56) MAOAMAOBUSP2ALDH1A1LMNA
SCHEMBL817513 0.73 KMT2A (0.70) SLC6A4KMT2A
SCHEMBL7986401 0.71 MAOA (0.52) MAOAMAOBSLC6A4SLC6A3USP2

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