SCHEMBL7366527

SCHEMBL7366527

COc1ccc(N2CCNCC2c2ccncc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.63
▸ GAA P10253 2/20 0.63
▸ HTR3E A5X5Y0 1/20 0.48
▸ HTR3B O95264 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ HTR3D Q70Z44 1/20 0.48
▸ HTR3C Q8WXA8 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ CYP2D6 P10635 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ GFER P55789 1/20 0.42
▸ HTR2C P28335 6/20 0.41
▸ HTR2B P41595 5/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL28112889 0.87 ADRB2 (0.49) L3MBTL1GAACYP2D6SLC6A2SLC6A4
SCHEMBL11434944 0.85 ADRB1 (0.47) L3MBTL1GAAHTR3EHTR3BADRB1
SCHEMBL7359288 0.83 SLC6A2 (0.45) L3MBTL1GAACYP2D6SLC6A2SLC6A4
SCHEMBL6204295 0.80 CYP2D6 (0.43) L3MBTL1GAACYP2D6SLC6A2SLC6A4
SCHEMBL7359408 0.79 CYP2D6 (0.45) L3MBTL1GAACYP2D6SLC6A2SLC6A4
SCHEMBL9275995 0.78 L3MBTL1 (0.39) L3MBTL1GAACYP2D6SLC6A2SLC6A4
SCHEMBL7358923 0.78 CYP2D6 (0.41) L3MBTL1GAACYP2D6SLC6A2SLC6A4
SCHEMBL38662188 0.78 SLC6A2 (0.43) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL1947552 0.77 HTR2C (0.44) L3MBTL1GAAHTR3EHTR3BADRB1
Hydrochloric Acid SCHEMBL7365020 0.77 CYP2D6 (0.41) L3MBTL1GAACYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 — — EP disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 — — EP disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 — — EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 — — EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 — — WO disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 — — WO disclosed
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