SCHEMBL28680308

SCHEMBL28680308

CCCc1ccccc1-c1cccnn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ GRM5 P41594 1/20 0.37
▸ HTR2B P41595 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ PDE9A O76083 1/20 0.34

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
SCHEMBL24352663 0.79 DPP4 (0.47) HTR2CHTR2AHTR2BCASP6PDE9A
SCHEMBL14678660 0.79 KDM4E (0.46) GRM5ADRA2AADRA2BADRA2C
SCHEMBL3630731 0.78 GRM5 (0.37) GRM5
SCHEMBL24352277 0.78 LTA4H (0.45) HTR2CHTR2AHTR2BCASP6PDE9A
Hydrochloric Acid SCHEMBL29473282 0.77 DPP4 (0.46) HTR2CHTR2AHTR2BCASP6PDE9A
SCHEMBL24352736 0.76 CASP6 (0.42) HTR2CHTR2AHTR2BCASP6PDE9A
SCHEMBL7869431 0.75 HTR2C (0.39) HTR2CHTR2AGRM5HTR2BCASP6
SCHEMBL6704515 0.74 PPARA (0.41) ADRA2AADRA2BADRA2C
SCHEMBL24352816 0.74 CASP6 (0.39) HTR2CHTR2AHTR2BCASP6ADRA2C
SCHEMBL28377000 0.74 NR1H2 (0.39) HTR2CHTR2A

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-113575586-A Pesticide composition containing brassinolide and propyl phenylpyridazide 江西鑫邦生化有限公司 2021-11-02 — — CN disclosed
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