SCHEMBL9866845

SCHEMBL9866845

c1ccc2c3c([nH]c2c1)CCNC3CN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.42
DRD2 P14416 2/20 0.42
DRD5 P21918 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CHRNA7 P36544 1/20 0.40
GRIN2B Q13224 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
MPO P05164 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL9206013 0.99 DRD1 (0.43) DRD1DRD2DRD5HTR2AHTR2C
SCHEMBL9865550 0.75 MEN1 (0.43) DRD1DRD2HTR2AHTR2CKDM4E
SCHEMBL30149565 0.75 HTR2A (0.51) DRD2HTR2AHTR2CGRIN2BDRD3
Hydrochloric Acid SCHEMBL30149473 0.74 HTR2A (0.53) HTR2AHTR2CGRIN2B
SCHEMBL9865545 0.74 MEN1 (0.42) DRD1DRD2HTR2AHTR2CKDM4E
SCHEMBL329828 0.71 OPRM1 (0.57) KDM4EALDH1A1LMNA
SCHEMBL329925 0.71 OPRM1 (0.57) KDM4EALDH1A1LMNA
SCHEMBL330238 0.71 OPRM1 (0.57) KDM4EALDH1A1LMNA
SCHEMBL14863014 0.70 MAPKAPK2 (0.62) DRD1DRD2HTR2AHTR2CKDM4E
SCHEMBL3453173 0.69 OPRM1 (0.56) KDM4EALDH1A1

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
US-4999359-A Analgesics DR. LO ZAMBELETTI S.P.A. (IT) 1991-03-12 US disclosed