SCHEMBL18617817

SCHEMBL18617817

CCc1cccc(C2CCNCC2F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.43
▸ TLR8 Q9NR97 2/20 0.43
▸ TLR7 Q9NYK1 2/20 0.43
▸ SSTR4 P31391 1/20 0.38
▸ SLC5A1 P13866 1/20 0.36
▸ SLC5A2 P31639 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ TACR1 P25103 3/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ROCK2 O75116 1/20 0.35

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
SCHEMBL20671890 0.89 DRD2 (0.42) TLR9TLR8TLR7SSTR4HTR2C
SCHEMBL18618107 0.86 CHRNB4 (0.50) TLR9TLR8TLR7SSTR4SLC5A1
SCHEMBL18617804 0.84 SLC5A1 (0.37) SSTR4SLC5A1SLC5A2HTR2CCHRNB4
SCHEMBL17308329 0.79 HTR2C (0.50) HTR2C
SCHEMBL24394293 0.76 KDM1A (0.50) HTR2CMAPTPKMSLC6A2SLC6A4
SCHEMBL24907357 0.76 KDM1A (0.50) HTR2CMAPTPKMSLC6A2SLC6A4
SCHEMBL3127083 0.76 KDM1A (0.50) HTR2CMAPTPKMSLC6A2SLC6A4
SCHEMBL23284411 0.76 KDM1A (0.50) HTR2CMAPTPKMSLC6A2SLC6A4
SCHEMBL3121885 0.76 KDM1A (0.50) HTR2CMAPTPKMSLC6A2SLC6A4
SCHEMBL3126247 0.76 KDM1A (0.50) HTR2CMAPTPKMSLC6A2SLC6A4

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-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO disclosed
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