SCHEMBL28763539

SCHEMBL28763539

NC(c1ccccc1)C(NP)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.56
▸ F2 P00734 1/20 0.44
▸ AOC3 Q16853 2/20 0.42
▸ SCN4A P35499 2/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6742099 0.77 DPP4 (0.56) DPP4F2AOC3HTR2ATAAR1
SCHEMBL14455234 0.77 DPP4 (0.56) DPP4F2AOC3HTR2AADRA2A
SCHEMBL2866367 0.77 DPP4 (0.56) DPP4F2AOC3HTR2AADRA2A
SCHEMBL239938 0.74 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL851654 0.74 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL644767 0.74 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL2067094 0.74 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL150159 0.74 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL1878642 0.74 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL30802089 0.74 DPP4 (0.52) DPP4F2AOC3TAAR1ADRA2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063347-A Phosphine-1, 2-diphenyl ethylenediamine ligand with chiral benzene ring framework, and preparation method and application thereof 中国科学院大连化学物理研究所 2023-05-05 — — CN claimed
CN-114426564-A Chiral ferrocenyl phosphine-1, 2-diphenyl ethylene diamine ligand and preparation method and application thereof 中国科学院大连化学物理研究所 2022-05-03 — — CN claimed
CN-114426564-B Chiral ferrocene phosphine-1, 2-diphenyl ethylenediamine ligand and preparation method and application thereof 中国科学院大连化学物理研究所 2023-09-08 — — CN disclosed
CN-116063347-A Phosphine-1, 2-diphenyl ethylenediamine ligand with chiral benzene ring framework, and preparation method and application thereof 中国科学院大连化学物理研究所 2023-05-05 — — CN disclosed
CN-116063347-A Phosphine-1, 2-diphenyl ethylenediamine ligand with chiral benzene ring framework, and preparation method and application thereof 中国科学院大连化学物理研究所 2023-05-05 — — CN disclosed
CN-116063347-A Phosphine-1, 2-diphenyl ethylenediamine ligand with chiral benzene ring framework, and preparation method and application thereof 中国科学院大连化学物理研究所 2023-05-05 — — CN disclosed
CN-114539327-A Chiral tridentate imine P, N, N-ligand, preparation method and application in Cu-catalyzed asymmetric propargyl conversion 中国科学院大连化学物理研究所 2022-05-27 — — CN disclosed
CN-114426564-A Chiral ferrocenyl phosphine-1, 2-diphenyl ethylene diamine ligand and preparation method and application thereof 中国科学院大连化学物理研究所 2022-05-03 — — CN disclosed
CN-114426564-A Chiral ferrocenyl phosphine-1, 2-diphenyl ethylene diamine ligand and preparation method and application thereof 中国科学院大连化学物理研究所 2022-05-03 — — CN disclosed
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