SCHEMBL9844725

SCHEMBL9844725

CC1=C(CC2CCN(Cc3ccccc3)CC2)Cn2c1cc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.54
ALDH1A1 P00352 3/20 0.49
ATM Q13315 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ACHE P22303 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9258755 0.89 CCR3 (0.56) CCR3SIGMAR1ACHE
SCHEMBL2004615 0.73 CCR3 (1.00) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL7977320 0.72 CCR3 (0.96) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL8191786 0.72 CCR3 (0.96) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL4508006 0.71 ACHE (0.52) ALDH1A1KMT2AACHESMN1; SMN2
SCHEMBL9264946 0.71 ACHE (0.48) KDM4ESIGMAR1ACHEDRD4
SCHEMBL4508009 0.71 ACHE (0.52) ALDH1A1KMT2AACHESMN1; SMN2
SCHEMBL16208334 0.69 SIGMAR1 (0.67) CCR3SIGMAR1
SCHEMBL9844722 0.69 ACHE (0.46) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL8251054 0.69 CCR3 (0.81) CCR3ALDH1A1ATMGAAKDM4E

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
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP disclosed