SCHEMBL8103918

SCHEMBL8103918

CC(C)C(c1cccnc1)N1CCC(Oc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.48
HRH3 Q9Y5N1 5/20 0.44
EPHX2 P34913 1/20 0.43
SLC6A4 P31645 1/20 0.43
GBA1 P04062 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTT P42858 1/20 0.40
RORC P51449 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
SLC5A7 Q9GZV3 1/20 0.40

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
SCHEMBL8109750 0.80 MMP1 (0.46) OGAHRH3
SCHEMBL20147421 0.78 OGA (0.57) OGAHRH3CHRNB4CHRNA3CHRNB2
SCHEMBL8025279 0.74 HRH3 (0.69) HRH3SLC6A4
SCHEMBL25502660 0.73 OGA (0.53) OGAEPHX2ALDH1A1CHRNB4CHRNA3
SCHEMBL6311007 0.73 OGA (0.53) OGAHRH3CHRNB4CHRNA3CHRNB2
SCHEMBL7237136 0.70 CHRNB2 (0.55) OGAEPHX2CHRNB4CHRNA3CHRNB2
SCHEMBL7530388 0.70 CHRNB2 (0.55) OGAEPHX2CHRNB4CHRNA3CHRNB2
SCHEMBL8395893 0.69 TRPV6 (0.61) HRH3CHRNB2CHRNA4
SCHEMBL24308469 0.69 HRH3 (0.68) HRH3SLC6A4
SCHEMBL5206162 0.69 HRH3 (0.67) HRH3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed