SCHEMBL9965377

SCHEMBL9965377

CC(C)CC(=O)N1CCC(Nc2ccccc2Oc2ccc(Cl)cc2N)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 4/20 0.41
CNR2 P34972 3/20 0.41
NAMPT P43490 2/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 2/20 0.38
PTPN1 P18031 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL9965413 0.91 CNR1 (0.46) POLBL3MBTL1CNR1CNR2NAMPT
SCHEMBL9965447 0.85 POLB (0.48) POLBL3MBTL1CNR1CNR2NAMPT
SCHEMBL9965382 0.78 PTPN1 (0.51) POLBL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL9965376 0.78 SMN1; SMN2 (0.50) CYP2C9CYP2C19LMNAALDH1A1TSHR
SCHEMBL642098 0.76 NPSR1 (0.52) CNR1CNR2LMNAALDH1A1KMT2A
SCHEMBL642620 0.76 CNR1 (0.52) L3MBTL1CNR1CNR2ALDH1A1KMT2A
SCHEMBL5073514 0.75 CHRM1 (0.46) KDM4ECYP2C9LMNAALDH1A1KMT2A
SCHEMBL9965470 0.73 NPSR1 (0.49) L3MBTL1LMNAALDH1A1TSHRKMT2A
SCHEMBL10173916 0.73 P2RX7 (0.42) L3MBTL1KDM4ELMNAALDH1A1TSHR
SCHEMBL641134 0.73 CNR1 (0.49) CNR1CNR2LMNAALDH1A1KMT2A

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-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed