SCHEMBL9024252

SCHEMBL9024252

O=C1COc2ccccc2C(=O)N1CCCCCN1CCC(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.56
CHRM1 P11229 3/20 0.53
DRD2 P14416 3/20 0.53
CHRM2 P08172 2/20 0.53
CHRM4 P08173 2/20 0.53
CHRM5 P08912 2/20 0.53
CHRM3 P20309 2/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
SIGMAR1 Q99720 6/20 0.51
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL9023702 0.99 HTR7 (0.57) HTR7CHRM1DRD2CHRM2CHRM4
SCHEMBL9029235 0.91 ADRB2 (0.49) HTR7CHRM1DRD2CHRM2CHRM4
SCHEMBL5658698 0.84 ALDH1A1 (0.63) HTR7DRD2DRD3SIGMAR1MEN1
SCHEMBL9024845 0.83 CHRM1 (0.48) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL9024825 0.83 CHRM1 (0.71) HTR7CHRM1DRD2CHRM2CHRM4
SCHEMBL5729537 0.82 HTR7 (0.63) HTR7DRD2DRD3SIGMAR1MEN1
SCHEMBL9024063 0.82 CHRM1 (0.73) HTR7CHRM1DRD2CHRM2CHRM4
SCHEMBL9024576 0.81 SIGMAR1 (0.51) HTR7SIGMAR1MEN1TP53CYP1A2
SCHEMBL9373505 0.81 HTR1A (0.69) HTR7DRD2DRD3ALDH1A1LMNA
SCHEMBL9024164 0.80 SIGMAR1 (0.50) HTR7SIGMAR1MEN1TP53CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463810-B1 Heterocyclic compound and psychopharmaceutical composition containing same SUNTORY LTD (JP) 1996-01-10 EP disclosed
US-5158947-A CONDENSED HETEROCYCLIC COMPOUNDS AND PSYCHOPHARMACEUTICAL COMPOSITION CONTAINING SAME SUNTORY LIMITED (JP) 1992-10-27 US disclosed
EP-0463810-A1 Heterocyclic compound and psychopharmaceutical composition containing same SUNTORY LIMITED (JP) 1992-01-02 EP disclosed