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SCHEMBL4050180

SCHEMBL4050180

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.39
▸ CNR2 P34972 5/20 0.37
▸ CHRNA7 P36544 1/20 0.33
▸ P2RX7 Q99572 8/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ ROCK2 O75116 2/20 0.32
▸ IL1B P01584 2/20 0.32
▸ HTR4 Q13639 1/20 0.32
▸ SSTR4 P31391 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
SCHEMBL13690998 1.00 CNR1 (0.39) CNR1CNR2CHRNA7P2RX7HTR3A
SCHEMBL13691262 0.95 CNR1 (0.40) CNR1CNR2CHRNA7P2RX7HTR3A
SCHEMBL4052469 0.95 CNR1 (0.40) CNR1CNR2CHRNA7P2RX7HTR3A
SCHEMBL13691048 0.92 CNR1 (0.38) CNR1CNR2P2RX7IL1B
SCHEMBL4050609 0.92 CNR1 (0.38) CNR1CNR2P2RX7IL1B
SCHEMBL13690978 0.91 CNR1 (0.46) CNR1CNR2HTR3AROCK2HTR4
SCHEMBL4052577 0.90 CNR1 (0.38) CNR1CNR2HTR3AHTR4
SCHEMBL13690589 0.90 CNR1 (0.38) CNR1CNR2HTR3AHTR4
SCHEMBL4052327 0.90 CNR1 (0.40) CNR1CNR2CHRNA7P2RX7IL1B
SCHEMBL13690652 0.90 CNR1 (0.40) CNR1CNR2CHRNA7P2RX7IL1B

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