SCHEMBL17199813

SCHEMBL17199813

O=C(O)N1CCN(C(C2=CC=CCC2)C2=COC=CO2)CC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL14343451 0.84
SCHEMBL3143031 0.82 MEN1 (0.31)
SCHEMBL27934013 0.80
SCHEMBL566422 0.77 KMT2A (0.30)
SCHEMBL567308 0.77
SCHEMBL568362 0.76
SCHEMBL567419 0.76 LMNA (0.39)
SCHEMBL567080 0.76
SCHEMBL566770 0.76
SCHEMBL27934072 0.76

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-2937341-A1 4-(BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID PHENYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS Janssen Pharmaceutica N.V. (BE) 2015-10-28 EP disclosed