SCHEMBL14639728

SCHEMBL14639728

CC(=O)N1CCC(NC2C=CC=CC2Oc2ccc(Cl)cc2)CC1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
HSD11B1 P28845 1/20 0.34
KDM1A O60341 3/20 0.34
POLB P06746 2/20 0.34
RIPK1 Q13546 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
KIF11 P52732 1/20 0.33
ACACB O00763 1/20 0.33
ATM Q13315 1/20 0.33
ATF4 P18848 1/20 0.33
CCR1 P32246 2/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL9965463 0.76 EPHX2 (0.40) EPHX2HSD11B1POLBMEN1KMT2A
SCHEMBL9965476 0.70 HRH1 (0.42) HSD11B1POLBRIPK1TACR1
SCHEMBL18711673 0.66 CCNC (0.49) HSD11B1POLBRIPK1MEN1NPC1
SCHEMBL24011067 0.66 RIPK1 (0.68) EPHX2HSD11B1POLBRIPK1MEN1
SCHEMBL9201803 0.64 TACR1 (0.54) RIPK1TACR1
SCHEMBL9201806 0.64 TACR1 (0.54) RIPK1TACR1
SCHEMBL9965374 0.63 PKM (0.38) EPHX2MEN1KMT2A
SCHEMBL20012078 0.62 RIPK1 (0.48) KDM1ARIPK1
SCHEMBL29115969 0.62 RIPK1 (0.48) KDM1ARIPK1
SCHEMBL30661786 0.62 KDM1A (0.45) KDM1ARIPK1MEN1KMT2A

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-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed