SCHEMBL15833657

SCHEMBL15833657

CCCN(CC)C[C@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
KCNA5 P22460 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
HSF1 Q00613 1/20 0.30

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
SCHEMBL11415551 0.90 TSHR (0.40) TSHRPLA2G1BPLA2G2AKDM4EKMT2A
SCHEMBL1010512 0.90 TSHR (0.40) TSHRKCNA5KDM4EKMT2AATM
SCHEMBL98701 0.90 TSHR (0.40) TSHRKCNA5KDM4EKMT2AATM
SCHEMBL9640527 0.85 TSHR (0.36) TSHRKCNA5KDM4EKMT2AATM
SCHEMBL19774701 0.85 TSHR (0.36) TSHRKCNA5KDM4EKMT2AATM
SCHEMBL18427267 0.85 TSHR (0.36) TSHRKCNA5KDM4EKMT2AATM
SCHEMBL9637735 0.84
SCHEMBL19368375 0.84 TSHR (0.44) TSHRPLA2G1BPLA2G2AKDM4EKMT2A
SCHEMBL9160 0.84
SCHEMBL15839414 0.84

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
WO-2022256554-A1 FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME UNIVERSITY OF THE SCIENCES (US) 2022-12-08 WO disclosed
WO-2014100695-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed