SCHEMBL27495705

SCHEMBL27495705

[CH2]CC(=N)CC(C)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ GPR84 Q9NQS5 2/20 0.42
▸ MPO P05164 8/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL27524772 0.90 GPR84 (0.42) HTR2AHTR2CGPR84HTR2BHTR1A
SCHEMBL28749184 0.81 TSHR (0.48) HTR2AHTR2CGPR84MPOHTR2B
SCHEMBL5791452 0.80 TSHR (0.56) HTR2AHTR2CGPR84MPOHTR2B
SCHEMBL5791726 0.80 TSHR (0.56) HTR2AHTR2CGPR84MPOHTR2B
SCHEMBL5793488 0.80 TSHR (0.56) HTR2AHTR2CGPR84MPOHTR2B
SCHEMBL27509165 0.79 MPO (0.41) HTR2AHTR2CMPOTSHRMTNR1A
SCHEMBL27509545 0.79 MPO (0.38) HTR2AHTR2CGPR84MPOSLC6A4
SCHEMBL8493464 0.78 HTR2A (0.55) HTR2AHTR2CGPR84MPOHTR2B
SCHEMBL5794289 0.77 HTR2A (0.54) HTR2AHTR2CGPR84MPOHTR2B
SCHEMBL5794797 0.77 HTR2A (0.54) HTR2AHTR2CGPR84MPOHTR2B

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
CN-1223650-A Piperidines and pyrrolidines MERCK PATENT GMBH (DE) 1999-07-21 — — CN disclosed
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