SCHEMBL16518131

SCHEMBL16518131

N#Cc1ccc(-c2cccc3c2CNCC3)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.50
▸ PNMT P11086 6/20 0.49
▸ DRD2 P14416 2/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ EGLN2 Q96KS0 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ CD44 P16070 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CD274 Q9NZQ7 2/20 0.35

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
SCHEMBL16518138 0.84 PRCP (0.50) PRCPPNMTDRD2DRD3CYP11B1
SCHEMBL16518127 0.83 PRCP (0.55) PRCPPNMTHDAC1HDAC6HDAC5
SCHEMBL16518130 0.81 PNMT (0.53) PRCPPNMTHDAC1HDAC6HDAC5
SCHEMBL16518770 0.81 PNMT (0.48) PRCPPNMTDRD2DRD3CYP11B1
SCHEMBL16518132 0.80 PRCP (0.58) PRCPPNMTHDAC1HDAC6HDAC5
SCHEMBL30199560 0.77 HDAC1 (0.48) PRCPPNMTDRD2DRD3HDAC1
SCHEMBL29098107 0.77 HDAC1 (0.48) PRCPPNMTDRD2DRD3HDAC1
SCHEMBL16518013 0.76 PRCP (0.59) PRCPPNMTCD44MAOB
SCHEMBL16518079 0.74 PRCP (0.61) PRCPPNMTCD44MAOB
SCHEMBL24265339 0.74 PNMT (0.54) PNMTDRD2DRD3CD44MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2671869-B1 TETRAHYDROISOQUINOLINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2015-11-04 — — EP disclosed
US-8962612-B2 Tetrahydroisoquinoline derivative ASTELLAS PHARMA INC. (JP) 2015-02-24 — — US disclosed
US-8962612-B2 Tetrahydroisoquinoline derivative ASTELLAS PHARMA INC. (JP) 2015-02-24 — — US disclosed
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