SCHEMBL18536508

SCHEMBL18536508

CN1CCC(NC(=O)c2ccc(C(=O)C(F)(F)F)cc2)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.41
USP30 Q70CQ3 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 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
SCHEMBL2067359 1.00 HTR2B (0.41) HTR2BUSP30HCRTR1HCRTR2
SCHEMBL13962627 0.89 HTR2B (0.43) HTR2BUSP30
Trifluoroacetic Acid SCHEMBL2067634 0.88 HTR2B (0.49) HTR2B
Trifluoroacetic Acid SCHEMBL2068117 0.87 NPC1 (0.46) HTR2BUSP30
SCHEMBL9970053 0.86 HTR2B (0.55) HTR2B
Trifluoroacetic Acid SCHEMBL2066884 0.85 EPHX2 (0.45) HTR2BHCRTR1HCRTR2
SCHEMBL14899096 0.85 HTR2B (0.41) HTR2BUSP30
SCHEMBL9970063 0.85 NPC1 (0.52) USP30
SCHEMBL9970061 0.83 EPHX2 (0.48) HTR2B
SCHEMBL13949588 0.83 USP14 (0.42) HTR2BUSP30

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-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP disclosed