SCHEMBL1388605

SCHEMBL1388605

Cc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 13/20 0.60
▸ DRD4 P21917 13/20 0.60
▸ DRD3 P35462 13/20 0.60
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ACHE P22303 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ LSS P48449 1/20 0.44

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
SCHEMBL1388750 0.94 DRD2 (0.66) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1388612 0.89 DRD2 (0.58) DRD2DRD4DRD3ALDH1A1LMNA
SCHEMBL1388480 0.89 DRD2 (0.57) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1388458 0.88 DRD2 (0.68) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1388783 0.88 DRD2 (0.61) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL1388769 0.88 DRD2 (0.56) DRD2DRD4DRD3ALDH1A1LMNA
SCHEMBL1388576 0.88 DRD2 (0.56) DRD2DRD4DRD3ALDH1A1LMNA
SCHEMBL1388723 0.88 DRD2 (0.58) DRD2DRD4DRD3POLBMEN1
SCHEMBL1388678 0.85 DRD2 (0.70) DRD2DRD4DRD3ALDH1A1
SCHEMBL1388564 0.85 DRD2 (0.55) DRD2DRD4DRD3ACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665833-B1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 1999-07-14 — — EP claimed
EP-0822814-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-12-09 — — EP claimed
EP-0822814-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-02-11 — — EP claimed
WO-1996032938-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-10-24 — — WO claimed
JP-H08502508-A — — 1996-03-19 — — JP claimed
EP-0665833-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1995-08-09 — — EP claimed
WO-1994010145-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-05-11 — — WO claimed
EP-0665833-B1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 1999-07-14 — — EP disclosed
EP-0822814-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-12-09 — — EP disclosed
EP-0822814-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-02-11 — — EP disclosed
US-5668148-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1997-09-16 — — US disclosed
US-5631269-A Dopamine receptor subtype ligands MERCK SHARP & DOHME LIMITED (GB) 1997-05-20 — — US disclosed
WO-1996032938-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-10-24 — — WO disclosed
EP-0665833-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1995-08-09 — — EP disclosed
WO-1994010145-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-05-11 — — WO disclosed
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