SCHEMBL23226311

SCHEMBL23226311

Cn1cc(CC(CCN)C(=O)O)c2ccc(N)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CPB2 Q96IY4 2/20 0.35
▸ CPB1 P15086 1/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ CMA1 P23946 2/20 0.34
▸ ADAM17 P78536 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CDK2 P24941 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ GRM3 Q14832 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32

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
SCHEMBL23226349 0.90 ADRB2 (0.42) HTR2ACPB2CPB1ADRB2HTR1D
SCHEMBL20935247 0.88 CDK2 (0.41) HTR2AALDH1A1MAPTRECQLCPB2
SCHEMBL23226316 0.86 CMA1 (0.35) HTR2AALDH1A1MAPTRECQLCPB2
SCHEMBL19872633 0.83 TPSAB1 (0.36) HTR2ACPB2CMA1GRM2GRM3
SCHEMBL18029329 0.82 MAPT (0.52) HTR2AALDH1A1MAPTRECQLMEN1
SCHEMBL20935261 0.81 CDK2 (0.41) HTR2AALDH1A1MAPTCPB2CPB1
SCHEMBL23226322 0.78 ADRB2 (0.38) HTR2ACPB2CPB1ADRB2HTR1D
SCHEMBL23226268 0.77 MMP2 (0.42) HTR2AALDH1A1MAPTRECQLCPB2
SCHEMBL23226265 0.76 TPSAB1 (0.38) CPB2ADRB2HTR1DCMA1CDK2
SCHEMBL19872707 0.74 HPGD (0.48) HTR2AALDH1A1ADRB2HTR1DCMA1

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
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 — — US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 — — US disclosed
US-11591627-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-02-28 — — US disclosed
US-20210108237-A1 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-04-15 — — US disclosed
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