SCHEMBL10253032

SCHEMBL10253032

CCCCCNC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.53
▸ SIGMAR1 Q99720 1/20 0.46
▸ TLR2 O60603 12/20 0.44
▸ TLR1 Q15399 12/20 0.44

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
SCHEMBL2470147 0.88 HRH3 (0.46) HRH3SIGMAR1
SCHEMBL2471160 0.88 CHRM5 (0.47) HRH3SIGMAR1
SCHEMBL10252725 0.88 CHRM5 (0.47) HRH3SIGMAR1
SCHEMBL2471588 0.83 ALDH1A1 (0.55) HRH3SIGMAR1
SCHEMBL2467207 0.82 CHRM5 (0.68) HRH3
SCHEMBL10253940 0.82 HTT (0.46) —
SCHEMBL2465508 0.80 KCNH2 (0.54) HRH3SIGMAR1
SCHEMBL2700951 0.79 SIGMAR1 (0.59) HRH3SIGMAR1
SCHEMBL13182883 0.79 HRH3 (0.41) HRH3SIGMAR1
SCHEMBL2467926 0.79 GRIN2B (0.51) HRH3SIGMAR1

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
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 — — EP disclosed
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