SCHEMBL29789645

SCHEMBL29789645

CC1(C)C(Cc2ccccc2)C(N2CCCCC2)CCN1C(=O)NCCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 4/20 0.46
▸ EPHX1 P07099 2/20 0.45
▸ EPHX2 P34913 3/20 0.44
▸ NAMPT P43490 2/20 0.44
▸ ASAH1 Q13510 5/20 0.42
▸ TPSAB1 Q15661 1/20 0.41

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
SCHEMBL23124249 0.80 FKBP1A (0.48) FKBP1AEPHX1EPHX2NAMPTASAH1
SCHEMBL23123407 0.80 NAMPT (0.43) FKBP1AEPHX1EPHX2NAMPTASAH1
SCHEMBL23124031 0.76 EPHX2 (0.59) FKBP1AEPHX1EPHX2NAMPTASAH1
SCHEMBL23124135 0.76 NAMPT (0.48) FKBP1AEPHX1EPHX2NAMPTASAH1
SCHEMBL24700279 0.73 NAMPT (0.54) FKBP1AEPHX1EPHX2NAMPTASAH1
SCHEMBL23123949 0.73 EPHX1 (0.50) FKBP1AEPHX1EPHX2NAMPTASAH1
SCHEMBL29789806 0.72 EPHX2 (0.47) FKBP1AEPHX1EPHX2NAMPTASAH1
SCHEMBL17117330 0.72 NAMPT (0.70) FKBP1AEPHX1EPHX2NAMPTASAH1
SCHEMBL23124014 0.72 HRH3 (0.43) EPHX1EPHX2
SCHEMBL29789773 0.71 EPHX2 (0.47) FKBP1AEPHX1EPHX2NAMPTASAH1

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
CN-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 — — CN disclosed
Send feedback