SCHEMBL23938455

SCHEMBL23938455

CCCC1(C(=O)OCC)CCC(N2CCC(c3ccc(F)cc3)CC2)CO1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KCNH2 Q12809 3/20 0.40
CCR2 P41597 2/20 0.40
OPRM1 P35372 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
CHRM4 P08173 1/20 0.36
CHRM1 P11229 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
SCHEMBL23938457 0.88 TACR1 (0.42) TACR1MEN1KMT2AKCNH2CCR2
SCHEMBL18244949 0.85 TACR1 (0.45) TACR1MEN1KMT2AMAPK1HTT
SCHEMBL18252890 0.83 KCNH2 (0.46) TACR1MEN1KMT2AMAPK1HTT
SCHEMBL13887070 0.74 KCNH2 (0.47) TACR1MEN1KMT2AMAPK1HTT
SCHEMBL18244998 0.74 TACR1 (0.46) TACR1MEN1KMT2AKCNH2CCR2
SCHEMBL23938458 0.74 CCR2 (0.57) TACR1KCNH2CCR2
SCHEMBL24433859 0.73 TACR1 (0.43) TACR1MEN1KMT2AKCNH2CCR2
SCHEMBL19443100 0.73 TACR1 (0.43) TACR1MEN1KMT2AKCNH2CCR2
SCHEMBL21900422 0.73 TACR1 (0.43) TACR1MEN1KMT2AKCNH2CCR2
SCHEMBL23938481 0.72 KCNH2 (0.50) TACR1KCNH2CCR2

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-3297438-B1 CCR2 MODULATORS CHEMOCENTRYX INC (US) 2021-10-20 EP disclosed