SCHEMBL30939987

SCHEMBL30939987

Cc1nc(F)cc2c3ccc(O)cc3n(CC(C)N(C)C)c12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PER2 O15055 5/20 0.34
▸ CRY1 Q16526 5/20 0.34
▸ CRY2 Q49AN0 5/20 0.34
▸ HTR2A P28223 3/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR4 Q13639 1/20 0.33
▸ S1PR3 Q99500 1/20 0.31
▸ PDE5A O76074 2/20 0.31
▸ HASPIN Q8TF76 1/20 0.31
▸ DYRK1A Q13627 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL16123581 1.00 PER2 (0.34) PER2CRY1CRY2HTR2AHTR2C
SCHEMBL16123582 0.84 DYRK1A (0.47) HTR2AHTR2CHASPINDYRK1A
SCHEMBL30939944 0.84 DYRK1A (0.47) HTR2AHTR2CHASPINDYRK1A
SCHEMBL30939894 0.81 DYRK1A (0.47) HTR2AHTR2CHASPINDYRK1A
SCHEMBL30939972 0.81 DYRK1A (0.47) HTR2AHTR2CPDE5AHASPINDYRK1A
SCHEMBL16123580 0.81 DYRK1A (0.47) HTR2AHTR2CHASPINDYRK1A
SCHEMBL16123507 0.81 DYRK1A (0.47) HTR2AHTR2CPDE5AHASPINDYRK1A
SCHEMBL16123602 0.81 ESR1 (0.35) PER2CRY1CRY2HTR2AHTR2C
SCHEMBL30939977 0.81 ESR1 (0.35) PER2CRY1CRY2HTR2AHTR2C
SCHEMBL16123661 0.79 CREBBP (0.37) S1PR3PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113416187-B Alkylamine harmine derivatives for promoting bone growth 奥斯菲治疗有限公司 2024-07-19 — — CN disclosed
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