SCHEMBL5691995

SCHEMBL5691995

Brc1cccc2c1C(Cc1ccccc1)NCC2

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.63
SLC22A1 O15245 1/20 0.63
ADRB2 P07550 1/20 0.52
GRIN2B Q13224 1/20 0.45
KDM1A O60341 1/20 0.44
GID4 Q8IVV7 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL27959648 0.80 SLC22A1 (0.57) PRCPSLC22A1ADRB2GRIN2BKDM1A
SCHEMBL5812041 0.78 PRCP (1.00) PRCPSLC22A1ADRB2KDM1A
SCHEMBL29768314 0.78 PRCP (1.00) PRCPSLC22A1ADRB2KDM1A
SCHEMBL4160731 0.78 PRCP (1.00) PRCPSLC22A1ADRB2KDM1A
SCHEMBL5284097 0.78 PRCP (1.00) PRCPSLC22A1ADRB2KDM1A
Water SCHEMBL28203568 0.76 PRCP (0.97) PRCPSLC22A1ADRB2KDM1A
Hydrochloric Acid SCHEMBL8823234 0.76 PRCP (0.97) PRCPSLC22A1ADRB2KDM1A
SCHEMBL7830263 0.72 SLC22A1 (0.51) PRCPSLC22A1ADRB2GRIN2BKDM1A
SCHEMBL8556154 0.71 DRD2 (0.48) PRCPSLC22A1ADRB2KDM1A
SCHEMBL10349433 0.71 ADRB2 (0.72) PRCPSLC22A1ADRB2KDM1AHTR2A

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-1641760-A2 NOVEL TETRAHYDROQUINOLINES Pfizer Products Inc. (US) 2006-04-05 EP disclosed
WO-2004108682-A2 TETRAHYDROISOQUINOLINES AS ANTAGONISTS OF THE 5HT1B RECEPTOR PFIZER PRODUCTS INC. (US) 2004-12-16 WO disclosed