SCHEMBL9195679

SCHEMBL9195679

Clc1ccccc1-c1cc(C2CCN(CC3CCCCC3)CC2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.52
▸ DRD4 P21917 5/20 0.52
▸ DRD3 P35462 5/20 0.52
▸ OPRL1 P41146 5/20 0.47
▸ OPRM1 P35372 4/20 0.47
▸ OPRK1 P41145 4/20 0.47
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ OPRD1 P41143 1/20 0.41

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
SCHEMBL1388487 0.82 DRD4 (0.69) DRD2DRD4DRD3OPRL1OPRM1
SCHEMBL1388300 0.81 DRD2 (0.56) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL9202150 0.80 DRD2 (0.57) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL1388664 0.75 DRD4 (0.60) DRD2DRD4DRD3
SCHEMBL9195743 0.75 DRD2 (0.55) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL9202145 0.74 SIGMAR1 (0.55) DRD2DRD4DRD3OPRM1KMT2A
SCHEMBL9199928 0.72 MEN1 (0.60) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL1388639 0.69 DRD2 (0.70) DRD2DRD4DRD3OPRM1KMT2A
SCHEMBL1388432 0.68 DRD4 (0.54) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL1388551 0.68 DRD4 (0.70) DRD2DRD4DRD3SIGMAR1

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-0665833-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1995-08-09 — — EP claimed
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