SCHEMBL24712422

SCHEMBL24712422

CCc1ccc2n1CCN(C(C)C)C2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.32
HRH3 Q9Y5N1 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
KCNH2 Q12809 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL25443778 0.85 KDM4E (0.31) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL24329608 0.75 CYP2D6 (0.34) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL9963424 0.73 DRD3 (0.49) DRD3HRH3KCNH2
SCHEMBL12563450 0.70 PIK3CA (0.30)
SCHEMBL11921171 0.69 HRH3 (0.37) HRH3KDM4EALDH1A1KCNH2
SCHEMBL25121973 0.66 HRH4 (0.30)
SCHEMBL21946763 0.63 GRM5 (0.31)
SCHEMBL24732180 0.63 SOS1 (0.33) HRH3
SCHEMBL24730771 0.62 HRH3 (0.31) HRH3
SCHEMBL24711527 0.62 MAOB (0.31) HRH3KCNH2

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
WO-2022232195-A2 COVALENT APTAMERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-11-03 WO disclosed