SCHEMBL13982204

SCHEMBL13982204

COc1ccccc1OCC(C)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.81
▸ CYP2D6 P10635 2/20 0.81
▸ ADRB1 P08588 2/20 0.81
▸ ADRA2A P08913 2/20 0.81
▸ ADRA2B P18089 2/20 0.81
▸ ADRA2C P18825 2/20 0.81
▸ ADRA1A P35348 2/20 0.81
▸ DRD3 P35462 2/20 0.81
▸ HTR2B P41595 2/20 0.81
▸ KCNH2 Q12809 2/20 0.81
▸ TSHR P16473 1/20 0.81
▸ NFKB1 P19838 1/20 0.81
▸ ADRB2 P07550 1/20 0.81
▸ SCN5A Q14524 1/20 0.81
▸ LMNA P02545 2/20 0.80
▸ BLM P54132 1/20 0.80
▸ PMP22 Q01453 1/20 0.80
▸ NPSR1 Q6W5P4 1/20 0.80
▸ DRD4 P21917 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.48

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
Ranolazine SCHEMBL1534086 0.90 CYP3A4 (1.00) CYP3A4CYP2D6ADRB1ADRA2AADRA2B
Ranolazine SCHEMBL30296819 0.90 CYP3A4 (1.00) CYP3A4CYP2D6ADRB1ADRA2AADRA2B
Ranolazine SCHEMBL6391141 0.90 CYP3A4 (1.00) CYP3A4CYP2D6ADRB1ADRA2AADRA2B
Ranolazine SCHEMBL7933344 0.90 CYP3A4 (1.00) CYP3A4CYP2D6ADRB1ADRA2AADRA2B
Ranolazine SCHEMBL1495098 0.90 CYP3A4 (1.00) CYP3A4CYP2D6ADRB1ADRA2AADRA2B
Ranolazine SCHEMBL124665 0.90 CYP3A4 (1.00) CYP3A4CYP2D6ADRB1ADRA2AADRA2B
Ranolazine SCHEMBL124666 0.90 CYP3A4 (1.00) CYP3A4CYP2D6ADRB1ADRA2AADRA2B
Ranolazine SCHEMBL14841986 0.89 CYP3A4 (0.98) CYP3A4CYP2D6ADRB1ADRA2AADRA2B
Ranolazine SCHEMBL612077 0.89 LMNA (1.00) CYP3A4CYP2D6ADRB1ADRA2AADRA2B
Ranolazine SCHEMBL3462812 0.89 CYP3A4 (0.98) CYP3A4CYP2D6ADRB1ADRA2AADRA2B

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
WO-2008157240-A1 SUBSTITUTED PIPERAZINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-24 — — WO disclosed
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