SCHEMBL3391597

SCHEMBL3391597

CN(C(=O)c1[c]cc2ccccc2c1)C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ATM Q13315 2/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCHR1 Q99705 1/20 0.40
MAPT P10636 2/20 0.40
BACE1 P56817 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KLK7 P49862 1/20 0.39
PDK2 Q15119 1/20 0.39
HSD11B1 P28845 1/20 0.39
ABCC1 P33527 1/20 0.39

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
SCHEMBL3392335 0.80 PTGDR2 (0.36) HPGDTSHRNPC1RAB9AMCHR1
SCHEMBL4986188 0.75 HPGD (0.55) HPGDTSHRNPC1RAB9AATM
SCHEMBL9001770 0.74 SLC6A4 (0.59) HPGDTSHRNPC1RAB9APOLB
SCHEMBL27661269 0.73 HPGD (0.46) HPGDTSHRNPC1RAB9AATM
SCHEMBL9001760 0.71 TSHR (0.79) HPGDTSHRNPC1RAB9AATM
SCHEMBL4359670 0.71 HPGD (0.59) HPGDTSHRNPC1RAB9AATM
SCHEMBL3388956 0.70 KMT2A (0.54) HPGDNPC1RAB9AALDH1A1MEN1
SCHEMBL293511 0.70 ALDH1A1 (0.38) HPGDNPC1RAB9AALDH1A1MEN1
SCHEMBL1001922 0.69 HPGD (0.62) HPGDTSHRNPC1RAB9AATM
SCHEMBL14374144 0.69 HPGD (0.62) HPGDTSHRNPC1RAB9AATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP claimed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed