SCHEMBL17861012

SCHEMBL17861012

CCC1CCC(NCC(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
SMYD3 Q9H7B4 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 2/20 0.34
EPHX1 P07099 1/20 0.32
METAP1 P53582 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL4919308 0.85
SCHEMBL186104 0.84 ADRB2 (0.40) SMYD3KDM4EHTTEPHX1OPRK1
Hydrochloric Acid SCHEMBL2656164 0.83
SCHEMBL31440874 0.83 KDM4E (0.42) EPHX2SMYD3KDM4EHTTMETAP1
SCHEMBL1241470 0.81 SMYD3 (0.40) EPHX2SMYD3HTTMETAP1
SCHEMBL24972574 0.79 HTT (0.31) HTT
SCHEMBL26313845 0.79 HTT (0.31) HTT
SCHEMBL25769714 0.79 HTT (0.31) HTT
SCHEMBL12599372 0.78 KCNH2 (0.43) EPHX2SMYD3HTT
SCHEMBL19406793 0.76 HTT (0.36) EPHX2HTT

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-2016097389-A1 BENZENESULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-23 WO disclosed