SCHEMBL4011485

SCHEMBL4011485

CCc1cc(F)ccc1Oc1ncccc1Br

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 1/20 0.49
▸ CARM1 Q86X55 2/20 0.45
▸ PDE10A Q9Y233 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ TRPA1 O75762 3/20 0.40
▸ SLC6A4 P31645 3/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ HTR2A P28223 3/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4012114 0.83 TRPA1 (0.49) PDE10AMAPTTRPA1SLC6A4HTR1A
SCHEMBL4007180 0.82 TRPA1 (0.57) CARM1PDE10APRMT6MAPTTRPA1
SCHEMBL4007110 0.81 SLC6A4 (0.47) P2RY1MAPTSLC6A4SLC6A2SLC6A3
SCHEMBL4008185 0.80 PDE10A (0.44) P2RY1CARM1PDE10APRMT6MAPT
SCHEMBL11924845 0.77 CARM1 (0.65) P2RY1CARM1PRMT6MAPTTRPA1
SCHEMBL30593115 0.76 CYP1A2 (0.41) TRPA1SLC6A4HTR2AKCNH2PKM
SCHEMBL26608264 0.76 CYP1A2 (0.41) TRPA1SLC6A4HTR2AKCNH2PKM
SCHEMBL4015050 0.74 HTR1A (0.60) P2RY1MAPTSLC6A4HTR1ASLC6A2
SCHEMBL13769647 0.74 HTR1A (0.76) SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL4007377 0.73 HPGD (0.49) MAPTSLC6A4SLC6A2

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-2009081259-A1 PHENOXY-PYRIDYL DERIVATIVES PFIZER INC. (US) 2009-07-02 — — WO disclosed
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