SCHEMBL5366198

SCHEMBL5366198

CN1CCC2(CC1)NC(=O)N(Cc1ccc(OC(F)F)cc1)[C@@H]2Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.37
PLA2G7 Q13093 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TACR1 P25103 1/20 0.36
CYP3A4 P08684 2/20 0.36
HSD11B1 P28845 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2A P28223 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL341644 1.00 HCRTR1 (0.41) HCRTR1HCRTR2MEN1KMT2APOLB
SCHEMBL5379739 1.00 HCRTR1 (0.41) HCRTR1HCRTR2MEN1KMT2APOLB
SCHEMBL5369190 0.87 HTR2A (0.46) CYP2C19HTR2AKCNH2
SCHEMBL342217 0.87 HTR2A (0.46) CYP2C19HTR2AKCNH2
SCHEMBL5364125 0.85 SIGMAR1 (0.44) HCRTR1HCRTR2
SCHEMBL339247 0.85 SIGMAR1 (0.44) HCRTR1HCRTR2
SCHEMBL5370078 0.85 SIGMAR1 (0.44) HCRTR1HCRTR2
SCHEMBL341553 0.82 HCRTR2 (0.43) HCRTR1HCRTR2MEN1KMT2APOLB
SCHEMBL342349 0.81 HCRTR2 (0.43) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL5361616 0.79 HTR2A (0.40) CYP2C19HTR2AKCNH2

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-7217719-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2007-05-15 US claimed