SCHEMBL20124482

SCHEMBL20124482

FC(F)(P)Oc1ccc(Nc2ccc3c(OCCN4CCCCC4)ccc(Cl)c3n2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.46
KDR P35968 5/20 0.44
EPHA2 P29317 2/20 0.44
EPHB4 P54760 2/20 0.44
EGFR P00533 5/20 0.42
INSR P06213 1/20 0.42
AXL P30530 1/20 0.42
BACE1 P56817 2/20 0.41
CSF1R P07333 2/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK14 Q16539 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL9943627 0.93 NTRK1 (0.47) NTRK1KDREPHA2EPHB4EGFR
SCHEMBL9942806 0.85 HRH3 (0.45) NTRK1KDREPHA2EPHB4AXL
SCHEMBL22137743 0.83 NTRK1 (0.51) NTRK1KDREPHA2EPHB4TSHR
SCHEMBL29498285 0.81 NTRK1 (0.49) NTRK1KDREGFRINSR
SCHEMBL17443160 0.81 NTRK1 (0.49) NTRK1KDREGFRINSR
SCHEMBL24218717 0.79 HTR2A (0.41) NTRK1KDREPHA2EPHB4INSR
SCHEMBL9937979 0.79 NTRK1 (0.42) NTRK1KDREPHA2EPHB4BACE1
SCHEMBL9972390 0.78 KDR (0.56) NTRK1KDREPHA2EPHB4EGFR
SCHEMBL17434796 0.77 ABL1 (0.52) NTRK1TSHRMAPK14
SCHEMBL17434804 0.75 NTRK1 (0.47) NTRK1EGFRBACE1

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-2651416-B1 COMPOUNDS USEFUL FOR TREATING AIDS ABIVAX (FR) 2018-05-09 EP disclosed