SCHEMBL19289192

SCHEMBL19289192

CCCC(CC)(CCC)Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.40
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
IDO1 P14902 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
PSMD14 O00487 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
MC4R P32245 1/20 0.35
RAD52 P43351 1/20 0.35
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL14387916 0.78 KDM4E (0.42) RIPK1LMNAKDM4EESR1ESR2
SCHEMBL28701966 0.75 SLC6A2 (0.45) RIPK1LMNAESR1ESR2TAAR1
SCHEMBL28105494 0.75 SLC6A2 (0.45) RIPK1LMNAESR1ESR2TAAR1
SCHEMBL19445303 0.72 KDM4E (0.44) RIPK1LMNAKDM4EESR1ESR2
SCHEMBL14446922 0.69 KDM4E (0.46) RIPK1LMNAKDM4EESR1ESR2
SCHEMBL23222204 0.69 KCNH2 (0.42) RIPK1KDM4ETAAR1HPGDL3MBTL1
SCHEMBL9248668 0.69 TSHR (0.33) TDP1
SCHEMBL2615503 0.69 ESR1 (0.58) RIPK1LMNAKDM4EESR1IDO1
SCHEMBL72988 0.69 ESR1 (0.58) RIPK1LMNAKDM4EESR1IDO1
SCHEMBL24143907 0.68 KCNH2 (0.44) RIPK1KDM4ETAAR1HPGDL3MBTL1

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-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed