SCHEMBL25925842

SCHEMBL25925842

CC1CNCCCC(CC=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
SLC6A1 P30531 4/20 0.32
SLC6A11 P48066 3/20 0.32
SLC6A13 Q9NSD5 3/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.31
APLNR P35414 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31

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
SCHEMBL2550008 0.81
SCHEMBL15973100 0.77 ADH1B (0.34)
Formic Acid SCHEMBL28509174 0.77 CPN1 (0.42) EPHX1CPN1CPB2SLC6A1SLC6A11
SCHEMBL15974686 0.73
SCHEMBL22420915 0.71 SLC6A1 (0.37) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL10045710 0.70
Formic Acid SCHEMBL28681473 0.70 SLC6A1 (0.42) EPHX1CPN1CPB2SLC6A1SLC6A11
SCHEMBL25455590 0.69
SCHEMBL21686127 0.69
SCHEMBL27048229 0.68 EPHX2 (0.38)

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
EP-4219449-A2 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF PREPARATION THEREOF Kura Oncology, Inc. (US) 2023-08-02 EP disclosed