SCHEMBL4053936

SCHEMBL4053936

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2c(F)cccc12)C(=O)NCC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.51
CNR2 P34972 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PTGER4 P35408 1/20 0.35
SSTR4 P31391 2/20 0.34
CFD P00746 3/20 0.34
HTR4 Q13639 2/20 0.34
F2RL1 P55085 1/20 0.33
USP30 Q70CQ3 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR3A P46098 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
SCHEMBL13690985 1.00 CNR1 (0.51) CNR1CNR2ADORA2AADORA1PTGER4
SCHEMBL13691004 0.92 CNR1 (0.47) CNR1CNR2ADORA2AADORA1PTGER4
SCHEMBL4049851 0.92 CNR1 (0.47) CNR1CNR2ADORA2AADORA1PTGER4
SCHEMBL13691063 0.92 CNR1 (0.49) CNR1CNR2ADORA2AADORA1PTGER4
SCHEMBL4051582 0.92 CNR1 (0.42) CNR1CNR2CFDHTR4HTR3A
SCHEMBL4050200 0.91 CNR1 (0.43) CNR1CNR2CFDHTR2CSLC6A4
SCHEMBL4057752 0.91 CNR1 (0.57) CNR1CNR2ADORA2AADORA1PTGER4
SCHEMBL4051299 0.90 CNR1 (0.47) CNR1CNR2ADORA2AADORA1PTGER4
SCHEMBL13690828 0.90 CNR1 (0.47) CNR1CNR2ADORA2AADORA1PTGER4
SCHEMBL4049667 0.89 CNR1 (0.41) CNR1CNR2SSTR4CFD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed