Sugi Predict

Sugi Predict / Compounds / SCHEMBL4058848

SCHEMBL4058848

SCHEMBL4058848

CC(C)(C)[C@H](NC(=O)c1nn(CC(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12)C(=O)NCCO

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 6/20 0.50
▸ CNR1 P21554 5/20 0.45
▸ CNR2 P34972 3/20 0.45
▸ SCN9A Q15858 1/20 0.40
▸ HTR3A P46098 2/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL13691041 1.00 PTGER4 (0.50) PTGER4CNR1CNR2SCN9AHTR3A
SCHEMBL4051067 0.90 PTGER4 (0.49) PTGER4CNR1CNR2TRPV1MAPT
SCHEMBL4059046 0.89 PTGER4 (0.48) PTGER4CNR1CNR2HTR3APOLB
SCHEMBL13691011 0.89 CNR1 (0.49) PTGER4CNR1CNR2HTR3APOLB
SCHEMBL4055245 0.89 CNR1 (0.49) PTGER4CNR1CNR2HTR3APOLB
SCHEMBL13690980 0.88 CNR1 (0.47) PTGER4CNR1CNR2SCN9AHTR3A
SCHEMBL13690535 0.88 CNR1 (0.60) PTGER4CNR1CNR2HTR3APOLB
SCHEMBL4050581 0.88 CNR1 (0.60) PTGER4CNR1CNR2HTR3APOLB
SCHEMBL13690545 0.87 PTGER4 (0.48) PTGER4CNR1CNR2HTR3AEPHX2
SCHEMBL4049978 0.85 CNR1 (0.47) PTGER4CNR1CNR2SCN9AHTR3A

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