SCHEMBL30965967

SCHEMBL30965967

B.B.B.O=C(C[C@H]1CN2CCC1CC2)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 3/20 0.55
▸ BCHE P06276 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ EPHX2 P34913 1/20 0.52
▸ CYP2D6 P10635 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HTR2A P28223 1/20 0.44

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
SCHEMBL28686105 1.00 CHRNA7 (0.55) CHRNA7BCHEACHEEPHX2CYP2D6
SCHEMBL6556626 0.86 CHRNA7 (0.59) CHRNA7MEN1KMT2A
Hydrochloric Acid SCHEMBL5166546 0.84 CHRNA7 (0.58) CHRNA7MEN1KMT2A
SCHEMBL1459283 0.83 MEN1 (0.52) EPHX2POLBMAPTMEN1KMT2A
SCHEMBL14540064 0.83 SMN1; SMN2 (0.52) POLBMAPT
SCHEMBL14540182 0.82 FPR1 (0.45) CHRNA7BCHEACHECHRM2CHRM1
Hydrochloric Acid SCHEMBL4285765 0.82 MEN1 (0.51) EPHX2POLBMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5168545 0.82 SMN1; SMN2 (0.54) POLBMAPT
SCHEMBL1460457 0.81 PTPN1 (0.48) CHRM3
SCHEMBL14539956 0.81 DRD2 (0.45) CHRNA7BCHEACHECHRM2CHRM1

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-113950477-B Granulin precursor modulators and methods of use thereof 阿库达医疗公司 2024-07-05 — — CN disclosed
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