SCHEMBL7218890

SCHEMBL7218890

Cn1c(CCc2ccc(CN)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)CN3CCC(Nc4ccc(Cl)cc4)CC3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.40
NTRK2 Q16620 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
F2 P00734 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CHIT1 Q13231 1/20 0.36
CHIA Q9BZP6 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
THRB P10828 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 2/20 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
SCHEMBL7222786 0.94 NTRK1 (0.44) NTRK1NTRK2SMN1; SMN2RAB9AKDM4E
SCHEMBL7121020 0.94 F2 (0.46) NTRK1NTRK2SMN1; SMN2LMNAF2
SCHEMBL7216788 0.94 KDM4E (0.39) NTRK1NTRK2SMN1; SMN2RAB9AKDM4E
SCHEMBL7219016 0.93 CA12 (0.41) NTRK1NTRK2LMNARAB9AKDM4E
SCHEMBL7224671 0.91 NTRK1 (0.40) NTRK1NTRK2SMN1; SMN2LMNARAB9A
SCHEMBL7216888 0.90 F2 (0.37) NTRK1NTRK2SMN1; SMN2RAB9AKDM4E
SCHEMBL7223673 0.89 F2 (0.39) NTRK1NTRK2SMN1; SMN2RAB9AKDM4E
SCHEMBL7118128 0.89 F2 (0.49) RAB9AKDM4ENPC1F2
SCHEMBL7114667 0.88 F2 (0.45) NTRK1NTRK2RAB9AKDM4ENPC1
SCHEMBL7120411 0.88 F2 (0.46) RAB9AKDM4ENPC1F2

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
US-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed