SCHEMBL817344

SCHEMBL817344

C=C(CCC1CCNC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
GBA1 P04062 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
SLC6A1 P30531 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRB2 P47870 2/20 0.39
SLC6A12 P48065 2/20 0.39
SLC6A11 P48066 2/20 0.39
SLC6A13 Q9NSD5 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRA4 P48169 1/20 0.39
SLC6A2 P23975 2/20 0.38

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
SCHEMBL817513 0.91 KMT2A (0.70) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL818715 0.90 GBA1 (0.47) KMT2AGBA1KDM1AMAOBITGB3
SCHEMBL817621 0.84 SLC6A1 (0.49) KMT2AGBA1KDM1AMAOBSLC6A1
SCHEMBL818433 0.77 GBA1 (0.50) KMT2AGBA1KDM1AMAOBITGB3
SCHEMBL818252 0.75 KMT2A (0.57) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL817735 0.75 MAOA (0.40) KMT2AMAOBSLC6A4SLC6A3
SCHEMBL27742622 0.73 KMT2A (1.00) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27893702 0.72 KMT2A (0.53) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3044569 0.71 GBA1 (0.56) KMT2AGBA1KDM1AMAOB
SCHEMBL23668445 0.71 KMT2A (0.60) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4

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