SCHEMBL2577434

SCHEMBL2577434

CC1Cc2cc(N)ccc2CCN1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.49
▸ HTR2A P28223 4/20 0.49
▸ HTR1A P08908 3/20 0.49
▸ NR1H2 P55055 1/20 0.43
▸ DRD1 P21728 8/20 0.42
▸ DRD5 P21918 4/20 0.41
▸ DRD3 P35462 3/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ HTR7 P34969 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37

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
Hydrochloric Acid SCHEMBL3440776 0.81 MAPT (0.39) DRD2HTR2AHTR1ANR1H2DRD1
Hydrochloric Acid SCHEMBL11476937 0.79 DRD2 (0.51) DRD2DRD1DRD5DRD3DRD4
Hydrochloric Acid SCHEMBL7506644 0.78 MAPT (0.39) DRD2HTR2AHTR1ANR1H2KDM4E
SCHEMBL17662597 0.77 DRD2 (0.55) DRD2HTR1ADRD1DRD5DRD3
SCHEMBL19121066 0.77 DRD2 (0.55) DRD2HTR1ADRD1DRD5DRD3
Hydrochloric Acid SCHEMBL11457319 0.76 DRD2 (0.54) DRD2DRD1DRD5DRD3DRD4
SCHEMBL216418 0.76 DRD1 (0.51) DRD2NR1H2DRD1DRD5DRD3
Hydrochloric Acid SCHEMBL11458075 0.75 DRD2 (0.54) DRD2HTR1ADRD1DRD5DRD3
SCHEMBL4752284 0.75 MAOA (0.56) DRD2HTR2AHTR1ADRD1DRD5
SCHEMBL3950020 0.75 MAOA (0.56) DRD2HTR2AHTR1ADRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 — — EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 — — EP disclosed
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