Sugi Predict

Sugi Predict / Compounds / SCHEMBL14997331

SCHEMBL14997331

SCHEMBL14997331

CCc1ccc(CC2Cc3ccccc3CN2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 5/20 0.56
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ PRCP P42785 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL3124084 0.87 PNMT (0.56) PNMTKMT2AMEN1ADRA2AADRA2B
SCHEMBL3124097 0.86 PNMT (0.62) PNMTKMT2AMEN1PRCP
SCHEMBL3128091 0.84 PNMT (0.60) PNMTKMT2AMEN1PRCP
SCHEMBL3119353 0.84 PNMT (0.60) PNMTKMT2AMEN1PRCP
SCHEMBL3131056 0.83 PNMT (0.51) PNMTKMT2A
SCHEMBL13453377 0.81 PNMT (0.69) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL172636 0.81 PNMT (0.69) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL14355729 0.81 PNMT (0.69) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL3117022 0.78 PNMT (0.46) PNMTKMT2AMEN1ADRA2AADRA2B
SCHEMBL3119253 0.77 PNMT (0.51) PNMTKMT2AMEN1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 — — EP disclosed