SCHEMBL31497405

SCHEMBL31497405

c1cc2cc(CC3CC3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.48
▸ CCR3 P51677 1/20 0.46
▸ CHRNA7 P36544 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ AHR P35869 4/20 0.44
▸ NR4A2 P43354 2/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ F7 P08709 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ RAD51 Q06609 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP17A1 P05093 1/20 0.43

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
SCHEMBL28024995 0.79 KDM1A (0.44) KDM1AMAOAMAOBAHRNR4A2
SCHEMBL8666600 0.77 HDAC1 (0.55) KDM1AMAOAMAOBAHRNR4A2
SCHEMBL18917988 0.76 ALDH1A1 (0.62) GRIN1CCR3GAAMAPT
SCHEMBL20847613 0.75 KDM1A (0.59) KDM1AMAOAMAOBMAPTSLC6A2
SCHEMBL5057022 0.73 AHR (0.50) KDM1AMAOAMAOBAHRNR4A2
SCHEMBL6582346 0.73 AHR (0.55) KDM1AMAOAMAOBAHRNR4A2
SCHEMBL763201 0.73 AHR (0.50) KDM1AMAOAMAOBAHRNR4A2
SCHEMBL17613377 0.73 AHR (0.50) KDM1AMAOAMAOBAHRNR4A2
SCHEMBL6963327 0.73 AHR (0.50) KDM1AMAOAMAOBAHRNR4A2
SCHEMBL951685 0.73 USP2 (0.55) KDM1AMAOAMAOBAHRNR4A2

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-119490487-A Polysubstituted tetrahydrocarbazole compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-02-21 — — CN disclosed
Send feedback