Sugi Predict

Sugi Predict / Compounds / SCHEMBL20144946

SCHEMBL20144946

SCHEMBL20144946

O=C(c1ccccc1-n1nccn1)N1CCCC(Nc2ncc3ccccc3n2)C1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 8/20 0.67
▸ HCRTR1 O43613 7/20 0.67
▸ CCNA2 P20248 11/20 0.59
▸ CDK2 P24941 11/20 0.59
▸ CDK7 P50613 10/20 0.59
▸ CCNH P51946 10/20 0.59
▸ MNAT1 P51948 10/20 0.59
▸ CCNK O75909 8/20 0.59
▸ CDK12 Q9NYV4 8/20 0.59

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
SCHEMBL20145146 0.86 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL18697641 0.86 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL20144741 0.86 HCRTR2 (0.65) HCRTR2HCRTR1CCNKCDK12
SCHEMBL20144820 0.86 HCRTR2 (0.65) HCRTR2HCRTR1
SCHEMBL20144908 0.84 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL20144901 0.84 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL18697746 0.83 HCRTR1 (0.67) HCRTR2HCRTR1
SCHEMBL20144896 0.83 HCRTR1 (0.67) HCRTR2HCRTR1
SCHEMBL20144881 0.83 HCRTR2 (0.68) HCRTR2HCRTR1CCNKCDK12
SCHEMBL20144816 0.82 HCRTR2 (0.66) HCRTR2HCRTR1

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-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 — — EP disclosed