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SCHEMBL4050200

SCHEMBL4050200

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCC(F)(F)CC2)c2c(F)cccc12)C(=O)NCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.43
▸ CNR2 P34972 4/20 0.39
▸ CFD P00746 3/20 0.33
▸ P2RX7 Q99572 7/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ IL1B P01584 1/20 0.32

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
SCHEMBL13690652 0.93 CNR1 (0.40) CNR1CNR2P2RX7CHRNA7IL1B
SCHEMBL4052327 0.93 CNR1 (0.40) CNR1CNR2P2RX7CHRNA7IL1B
SCHEMBL4049667 0.92 CNR1 (0.41) CNR1CNR2CFD
SCHEMBL13691051 0.91 CNR1 (0.42) CNR1CNR2CFDP2RX7IL1B
SCHEMBL4056167 0.91 CNR1 (0.42) CNR1CNR2CFDP2RX7IL1B
SCHEMBL4053936 0.91 CNR1 (0.51) CNR1CNR2CFDHTR2CSLC6A4
SCHEMBL13690985 0.91 CNR1 (0.51) CNR1CNR2CFDHTR2CSLC6A4
SCHEMBL4052559 0.91 CNR1 (0.48) CNR1CNR2
SCHEMBL13691262 0.91 CNR1 (0.40) CNR1CNR2P2RX7CHRNA7IL1B
SCHEMBL4052469 0.91 CNR1 (0.40) CNR1CNR2P2RX7CHRNA7IL1B

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