SCHEMBL28823942

SCHEMBL28823942

O=CC1CCN1c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.42
▸ NOTUM Q6P988 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 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
SCHEMBL570426 0.81 USP30 (0.39) HRH3NOTUMMAPK1MAPTLMNA
SCHEMBL8000795 0.75 FFAR1 (0.51) HRH3KDM4EMAPK1ALDH1A1MAPT
SCHEMBL13284750 0.71 FFAR1 (0.51) NOTUMLMNA
SCHEMBL16359910 0.71 HRH3 (0.45) HRH3NOTUMKDM4ETP53MAPK1
SCHEMBL23064587 0.70 FFAR1 (0.46) —
SCHEMBL1814706 0.70 NOTUM (0.50) NOTUMKDM4ETP53MAPK1ALDH1A1
SCHEMBL14724234 0.70 HRH3 (0.45) HRH3NOTUMMAPK1ALDH1A1MAPT
SCHEMBL9891645 0.69 NOTUM (0.53) HRH3NOTUMKDM4ETP53MAPK1
Hydrochloric Acid SCHEMBL1818467 0.69 NOTUM (0.49) NOTUMKDM4ETP53MAPK1ALDH1A1
SCHEMBL20458161 0.69 NOTUM (0.53) HRH3NOTUMKDM4ETP53MAPK1

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-104981470-A Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use Bayer Pharma AG 2015-10-14 — — CN disclosed
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