SCHEMBL20039920

SCHEMBL20039920

CC(F)COCCCNC1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.49
GNAO1 P09471 2/20 0.49
GNAI1 P63096 2/20 0.49
SOS1 Q07889 1/20 0.38
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.33
KCNH2 Q12809 1/20 0.33
DPP7 Q9UHL4 1/20 0.32
RAD52 P43351 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL17102129 0.76 GNAI3 (0.58) GNAI3GNAO1GNAI1SOS1KDM4E
SCHEMBL27909545 0.76 SOS1 (0.51) GNAI3GNAO1GNAI1SOS1KCNH2
Hydrochloric Acid SCHEMBL28065788 0.75 GNAI3 (0.61) GNAI3GNAO1GNAI1SOS1KDM4E
SCHEMBL13541817 0.73 KCNH2 (0.49) GNAI3GNAO1GNAI1SOS1KDM4E
SCHEMBL6247785 0.73 GNAI3 (0.73) GNAI3GNAO1GNAI1SOS1ALDH1A1
SCHEMBL8682833 0.73 GNAI3 (0.67) GNAI3GNAO1GNAI1SOS1KCNH2
SCHEMBL20648825 0.73 GNAI3 (0.58) GNAI3GNAO1GNAI1SOS1ALDH1A1
SCHEMBL20932984 0.72 GNAI3 (0.49) GNAI3GNAO1GNAI1SOS1KDM4E
SCHEMBL19560897 0.71 GNAI3 (0.61) GNAI3GNAO1GNAI1SOS1ALDH1A1
SCHEMBL8851009 0.71 GNAI3 (0.56) GNAI3GNAO1GNAI1SOS1KDM4E

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-3091012-B1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CENTREXION THERAPEUTICS CORP (US) 2018-04-11 EP disclosed