Sugi Predict

Sugi Predict / Compounds / SCHEMBL4052469

SCHEMBL4052469

SCHEMBL4052469

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.40
▸ CNR2 P34972 5/20 0.36
▸ CHRNA7 P36544 1/20 0.34
▸ P2RX7 Q99572 9/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ HTR3A P46098 2/20 0.33
▸ IL1B P01584 2/20 0.32
▸ SSTR4 P31391 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
SCHEMBL13691262 1.00 CNR1 (0.40) CNR1CNR2CHRNA7P2RX7PTGER3
SCHEMBL13690998 0.95 CNR1 (0.39) CNR1CNR2CHRNA7P2RX7HTR3A
SCHEMBL4050180 0.95 CNR1 (0.39) CNR1CNR2CHRNA7P2RX7HTR3A
SCHEMBL13690731 0.92 CNR1 (0.37) CNR1CNR2PTGER3HTR3ASSTR4
SCHEMBL13691049 0.91 CNR1 (0.39) CNR1CNR2P2RX7IL1B
SCHEMBL4059287 0.91 CNR1 (0.39) CNR1CNR2P2RX7IL1B
SCHEMBL4052327 0.91 CNR1 (0.40) CNR1CNR2CHRNA7P2RX7IL1B
SCHEMBL13690652 0.91 CNR1 (0.40) CNR1CNR2CHRNA7P2RX7IL1B
SCHEMBL4051299 0.91 CNR1 (0.47) CNR1CNR2HTR3ASSTR4
SCHEMBL13690828 0.91 CNR1 (0.47) CNR1CNR2HTR3ASSTR4

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