SCHEMBL24437740

SCHEMBL24437740

CC(C)CCCCCNCc1ccnc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ CHRM2 P08172 5/20 0.41
▸ KCNH3 Q9ULD8 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL10483900 0.78 LOXL2 (0.56) LOXL2CHRM2KCNH3
SCHEMBL7981962 0.78 LOXL2 (0.47) LOXL2CHRM2KCNH3ALDH1A1
SCHEMBL10483895 0.77 LOXL2 (0.59) LOXL2CHRM2KCNH3
SCHEMBL13509696 0.77 ALDH1A1 (0.54) CHRM2ALDH1A1MAOACYP2D6CYP2C19
SCHEMBL12880430 0.77 LOXL2 (0.50) LOXL2KCNH3
SCHEMBL12880427 0.74 LOXL2 (0.53) LOXL2KCNH3
SCHEMBL12880418 0.73 LOXL2 (0.57) LOXL2KCNH3
SCHEMBL7861380 0.72 MAOA (0.71) CHRM2MAOAHDAC3HDAC1HDAC2
SCHEMBL29380563 0.72 MAOA (0.71) CHRM2MAOAHDAC3HDAC1HDAC2
SCHEMBL640522 0.72 MAOA (0.71) CHRM2MAOAHDAC3HDAC1HDAC2

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-2022101453-A1 COMPOUNDS AND METHODS FOR TREATING A CYTOKINE-MEDIATED DISEASE Conservatoire National des Arts et Métiers (FR) 2022-05-19 — — WO disclosed
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