SCHEMBL27419979

SCHEMBL27419979

CCCC[C@H](CC)NCCNC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CNR1 P21554 1/20 0.44
ADRA1A P35348 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ABCC3 O15438 1/20 0.43
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
DNM1 Q05193 1/20 0.32

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
SCHEMBL19943441 0.89 EPHX1 (0.46) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL21695559 0.88 LMNA (0.46) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL27419978 0.86 LMNA (0.42) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL16264300 0.86 LMNA (0.42) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL14198303 0.86 LMNA (0.48) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL27355101 0.84 EPHX1 (0.44) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL18456727 0.83 LMNA (0.55) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL18844901 0.82 EPHX1 (0.54) LMNAEPHX1TSHRDNM1
SCHEMBL9212478 0.82 EPHX1 (0.48) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL24690248 0.80 EPHX1 (0.41) LMNATDP1CNR1ADRA1AKDM4E

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-2024138045-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. (US) 2024-06-27 WO disclosed