SCHEMBL8963697

SCHEMBL8963697

Cc1ccc(-c2nc(CN3CC[N+](Cc4ccccc4)(c4ccc(Cl)cc4)CC3)c(C)[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
CTSS P25774 16/20 0.47
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL8963868 0.82 DRD2 (0.63) DRD2DRD4DRD3CTSSLMNA
Hydrochloric Acid SCHEMBL8963575 0.78 DRD4 (0.35) DRD2DRD4DRD3TSHR
Hydrochloric Acid SCHEMBL8963519 0.77 HTR1A (0.36) DRD2DRD4DRD3TSHR
Hydrochloric Acid SCHEMBL8963955 0.77 MAPK14 (0.35) DRD2DRD4DRD3ALDH1A1SMN1; SMN2
SCHEMBL8964019 0.76 DRD2 (0.71) DRD2DRD4DRD3CTSSLMNA
Hydrochloric Acid SCHEMBL8963901 0.76 DRD2 (0.34) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL9720664 0.76 DRD2 (0.62) DRD2DRD4DRD3CTSS
SCHEMBL9424741 0.75 DRD3 (0.55) DRD2DRD4DRD3CTSSLMNA
SCHEMBL9720670 0.75 DRD4 (0.57) DRD2DRD4DRD3CTSSLMNA
Hydrochloric Acid SCHEMBL8963570 0.75 DRD2 (0.33) DRD2DRD4DRD3LMNAMAPT

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-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed