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SCHEMBL13690652

SCHEMBL13690652

CC(C)(C)C(NC(=O)c1nn(CC2CCC(F)(F)CC2)c2c(F)cccc12)C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.40
▸ CNR2 P34972 5/20 0.36
▸ CHRNA7 P36544 1/20 0.34
▸ P2RX7 Q99572 7/20 0.33
▸ IL1B P01584 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR4 Q13639 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
SCHEMBL4052327 1.00 CNR1 (0.40) CNR1CNR2CHRNA7P2RX7IL1B
SCHEMBL4050200 0.93 CNR1 (0.43) CNR1CNR2CHRNA7P2RX7IL1B
SCHEMBL13691262 0.91 CNR1 (0.40) CNR1CNR2CHRNA7P2RX7IL1B
SCHEMBL13690708 0.91 CNR1 (0.40) CNR1CNR2P2RX7IL1B
SCHEMBL4052469 0.91 CNR1 (0.40) CNR1CNR2CHRNA7P2RX7IL1B
SCHEMBL13691004 0.91 CNR1 (0.47) CNR1CNR2SSTR4HTR4
SCHEMBL4049851 0.91 CNR1 (0.47) CNR1CNR2SSTR4HTR4
SCHEMBL13690998 0.90 CNR1 (0.39) CNR1CNR2CHRNA7P2RX7IL1B
SCHEMBL4050180 0.90 CNR1 (0.39) CNR1CNR2CHRNA7P2RX7IL1B
SCHEMBL4048288 0.89 CNR1 (0.41) CNR1CNR2HTR4

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