SCHEMBL10540040

SCHEMBL10540040

CC(C)CCC(CCC(C)C)NCCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 2/20 0.51
▸ HTR7 P34969 2/20 0.51
▸ MC4R P32245 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 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
SCHEMBL9321345 0.84 SIGMAR1 (0.51) SIGMAR1
SCHEMBL9321415 0.83 SIGMAR1 (0.48) SIGMAR1MEN1KMT2A
SCHEMBL9323634 0.83 SIGMAR1 (0.53) SIGMAR1
SCHEMBL9322205 0.82 SIGMAR1 (0.47) SIGMAR1MEN1KMT2A
SCHEMBL9322137 0.82 SIGMAR1 (0.47) SIGMAR1MEN1KMT2A
SCHEMBL8106645 0.82 CCR3 (0.66) CCR3MC4RSIGMAR1KDM4EMEN1
SCHEMBL8106831 0.80 CCR3 (0.64) CCR3HTR7MC4RSIGMAR1KDM4E
SCHEMBL14525251 0.80 MC4R (0.65) CCR3MC4RSIGMAR1KDM4EMEN1
SCHEMBL9323726 0.79 SIGMAR1 (0.56) SIGMAR1
SCHEMBL9323771 0.78 SIGMAR1 (0.58) SIGMAR1

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
JP-1038080-A — — None — — JP disclosed
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