SCHEMBL18559751

SCHEMBL18559751

Oc1ncnc2c1CCC2c1ccc(C(F)(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
HDAC4 P56524 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
DGAT1 O75907 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
KCNH2 Q12809 1/20 0.30
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL513823 0.84 HRH3 (0.37) HRH3HDAC4TRPV4TRPM8HCAR2
SCHEMBL512262 0.73 HRH3 (0.35) HRH3HDAC4TRPV4DGAT1
SCHEMBL512837 0.69 UGT1A1 (0.35) HRH3HDAC4TRPV4TRPM8P2RX3
SCHEMBL322678 0.68 HDAC4 (0.34) HRH3HDAC4TRPV4TRPM8KCNH2
SCHEMBL512759 0.67 HRH3 (0.42) HRH3HDAC4TRPV4TRPM8DGAT1
SCHEMBL25920490 0.65 HRH3 (0.47) HRH3HDAC4TRPV4HCAR2DGAT1
SCHEMBL30455383 0.65 MEN1 (0.39) HRH3HDAC4
SCHEMBL25647431 0.64 HTT (0.50) HRH3HDAC4TRPV4DGAT1KDM1A
SCHEMBL28935850 0.64 TRPV4 (0.46) HRH3HDAC4TRPV4HCAR2DGAT1
SCHEMBL20010524 0.63 ESR2 (0.46) HRH3HDAC4TRPV4TRPM8HCAR2

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-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed