SCHEMBL26238906

SCHEMBL26238906

CC(C)CNC(=O)C(C)N1CCC(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ PRCP P42785 4/20 0.49
▸ OPRM1 P35372 4/20 0.48
▸ KDM1A O60341 1/20 0.46
▸ ADRA1D P25100 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SLC18A3 Q16572 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL25391308 0.84 PRCP (0.47) KCNH2HRH3PRCPOPRM1SLC18A3
SCHEMBL26239074 0.83 KCNH2 (0.44) KCNH2HRH3PRCPOPRM1ADRA1D
SCHEMBL4029855 0.81 PRMT5 (0.58) KCNH2HRH3PRCPSMN1; SMN2KMT2A
SCHEMBL24029313 0.81 OPRM1 (0.47) KCNH2HRH3PRCPOPRM1KDM1A
SCHEMBL27498941 0.80 KCNH2 (0.60) KCNH2HRH3PRCPOPRM1KDM1A
SCHEMBL26238905 0.79 PRCP (0.58) PRCPADRA1DADRA1AADRA1BSLC18A3
SCHEMBL25389373 0.78 PRCP (0.48) KCNH2HRH3PRCPOPRM1ADRA1D
SCHEMBL24112381 0.76 NPC1 (0.50) KCNH2HRH3PRCPOPRM1KDM1A
SCHEMBL24450335 0.75 RAB9A (0.49) KCNH2HRH3PRCPOPRM1KDM1A
SCHEMBL2558352 0.75 SIGMAR1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AATM

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-2023172415-A1 SWEETENER COMPOSITIONS FIRMENICH INCORPORATED (US) 2023-09-14 — — WO disclosed
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