SCHEMBL6132812

SCHEMBL6132812

COC1(C2CCCCC2)CCN(c2ccc(-c3nnc(-c4ccc([C]=O)cc4)s3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.38
APP P05067 4/20 0.35
USP2 O75604 1/20 0.32
PTPN11 Q06124 1/20 0.32
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CTSK P43235 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31

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
SCHEMBL6132815 0.87 ALDH1A1 (0.41) HRH3APPUSP2PTPN11HSD11B1
SCHEMBL13098814 0.86 HRH3 (0.39) HRH3APPUSP2PTPN11NPC1
SCHEMBL6132510 0.86 PDE4D (0.44) HRH3USP2PDE4DPDE7A
SCHEMBL6134549 0.85 KDM4E (0.43) HRH3APPNPC1RAB9A
SCHEMBL6132560 0.85 PDE4D (0.48) HRH3USP2NPC1RAB9APDE4D
SCHEMBL6374773 0.84 USP2 (0.43) HRH3USP2PDE4DPDE7A
SCHEMBL6376063 0.84 PDE4D (0.46) HRH3USP2NPC1RAB9APDE4D
SCHEMBL6134823 0.82 HRH3 (0.38) HRH3USP2PDE4DPDE7A
SCHEMBL13098866 0.81 HRH3 (0.47) HRH3PTPN11
SCHEMBL3110248 0.81 HRH3 (0.34) HRH3APPUSP2

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
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US claimed