SCHEMBL4000700

SCHEMBL4000700

O=C1COc2ccc(C(CC3CC3)CC3(C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CCNCC3)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
TSHR P16473 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
KMT2A Q03164 2/20 0.37
CCR2 P41597 8/20 0.37
PARP1 P09874 1/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 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
SCHEMBL3996746 0.86 TACR1 (0.44) TACR1MMP8MMP13TSHRTRPV1
SCHEMBL3998209 0.84 TACR1 (0.41) TACR1MMP8MMP13TSHRTRPV1
SCHEMBL3998193 0.81 TACR1 (0.43) TACR1MMP8MMP13TSHRTRPV1
SCHEMBL3783405 0.78 OPRK1 (0.42) MMP8MMP13TSHRTRPV1KMT2A
SCHEMBL3778720 0.75 PARP1 (0.51) MMP8MMP13TSHRTRPV1KMT2A
SCHEMBL3786876 0.74 HTR1A (0.45) MMP8MMP13TRPV1KMT2ACCR2
SCHEMBL3779175 0.74 PARP1 (0.47) MMP8MMP13TSHRTRPV1KMT2A
SCHEMBL3998191 0.74 TRPV1 (0.36) TACR1MMP8MMP13TRPV1KMT2A
SCHEMBL3996741 0.73 PARP1 (0.41) MMP8MMP13TRPV1KMT2APARP1
SCHEMBL3029909 0.73 TACR1 (0.59) TACR1CCR2

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-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 WO disclosed