SCHEMBL29857077

SCHEMBL29857077

N#Cc1ccc(C(=O)N(CC2CC2)c2cccc(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3C(F)(F)F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.42
MLYCD O95822 1/20 0.35
SMO Q99835 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
KLKB1 P03952 2/20 0.35
HSD11B1 P28845 3/20 0.34
NR1H4 Q96RI1 1/20 0.34
PDK2 Q15119 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
AKR1C3 P42330 1/20 0.33
NSD2 O96028 1/20 0.33
MTTP P55157 1/20 0.33
MCHR1 Q99705 1/20 0.33
VNN1 O95497 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
SCHEMBL23288057 1.00 RXFP1 (0.42) RXFP1MLYCDSMOHDAC8KLKB1
SCHEMBL24962230 0.93 RXFP1 (0.41) RXFP1MLYCDSMOHDAC8KLKB1
SCHEMBL29857221 0.92 MTTP (0.38) RXFP1HDAC8HSD11B1NR1H4SLC6A2
SCHEMBL23228021 0.92 MTTP (0.38) RXFP1HDAC8HSD11B1NR1H4SLC6A2
SCHEMBL23227788 0.91 HDAC8 (0.37) HDAC8HSD11B1SLC6A2SLC6A4AKR1C3
SCHEMBL30370622 0.91 HDAC8 (0.37) HDAC8HSD11B1SLC6A2SLC6A4AKR1C3
SCHEMBL24962227 0.91 HDAC8 (0.37) RXFP1HDAC8HSD11B1NR1H4SLC6A2
SCHEMBL29857236 0.91 HDAC8 (0.38) RXFP1HDAC8NR1H4SLC6A2SLC6A4
SCHEMBL23227807 0.91 HDAC8 (0.38) RXFP1HDAC8NR1H4SLC6A2SLC6A4
SCHEMBL23251050 0.90 RXFP1 (0.40) RXFP1HDAC8HSD11B1SLC6A2SLC6A4

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
CN-112707841-B 3-N-cyclopropylmethyl-2-fluorobenzamide compound and preparation method and application thereof 南通泰禾化工股份有限公司 2022-08-23 CN disclosed