SCHEMBL5508478

SCHEMBL5508478

Cc1oc(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)nc1CCN1CCC(CF)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
CCR2 P41597 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSS P25774 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
MITF O75030 1/20 0.37
ALDH1A1 P00352 3/20 0.37
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
HTR7 P34969 2/20 0.37
HTR6 P50406 2/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3583376 1.00 HRH3 (0.47) HRH3CCR2KDM4ELMNANPC1
SCHEMBL3593223 1.00 HRH3 (0.47) HRH3CCR2KDM4ELMNANPC1
SCHEMBL3594307 0.89 HRH3 (0.49) HRH3CCR2KDM4ELMNANPC1
SCHEMBL3586543 0.89 HRH3 (0.49) HRH3CCR2KDM4ELMNANPC1
SCHEMBL3579079 0.86 HRH3 (0.48) HRH3KDM4ELMNANPC1RAB9A
SCHEMBL3578784 0.86 HRH3 (0.48) HRH3KDM4ELMNANPC1RAB9A
SCHEMBL3582675 0.85 HRH3 (0.51) HRH3CCR2KDM4ELMNANPC1
SCHEMBL3581590 0.85 HRH3 (0.51) HRH3CCR2KDM4ELMNANPC1
SCHEMBL3582528 0.85 HRH3 (0.47) HRH3CCR2KDM4ELMNANPC1
SCHEMBL3584995 0.85 HRH3 (0.47) HRH3CCR2KDM4ELMNANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786790-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-23 EP disclosed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 WO disclosed