SCHEMBL817513

SCHEMBL817513

C=C(CCC1CCCNC1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.70
CHRNB2 P17787 3/20 0.54
CHRNA4 P43681 3/20 0.54
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ACP1 P24666 5/20 0.40
ABL1 P00519 1/20 0.40
EED O75530 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL817344 0.91 KMT2A (0.57) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL818252 0.85 KMT2A (0.57) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27742622 0.82 KMT2A (1.00) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL818715 0.81 GBA1 (0.47) KMT2ASLC6A4
SCHEMBL817621 0.75 SLC6A1 (0.49) KMT2ASLC6A2SLC6A4
SCHEMBL6508976 0.74 KMT2A (0.67) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3443417 0.73 KMT2A (0.57) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3443170 0.73 KMT2A (0.57) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3443727 0.73 KMT2A (0.57) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13122649 0.73 KMT2A (0.74) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3

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