SCHEMBL8581317

SCHEMBL8581317

O=C1[N]CC(c2ccccc2OCC(F)(F)F)N1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.37
▸ MRGPRX1 Q96LB2 1/20 0.35
▸ ADRA1A P35348 9/20 0.34
▸ ADRA1B P35368 9/20 0.34
▸ ADRA1D P25100 8/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ DRD2 P14416 5/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ SCN9A Q15858 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
SCHEMBL8581218 0.90 SCN9A (0.41) GRIN2BSCN9A
SCHEMBL8579032 0.88 GRIN2B (0.34) GRIN2B
SCHEMBL8674222 0.81 GRIN2B (0.33) GRIN2B
SCHEMBL8674251 0.81 GRIN2B (0.33) GRIN2B
SCHEMBL8674710 0.80 GRIN2B (0.42) GRIN2B
SCHEMBL8674741 0.80 HTR2C (0.32) GRIN2B
SCHEMBL8584194 0.79 GRIN2B (0.41) GRIN2B
SCHEMBL8668321 0.78 GRIN2B (0.41) GRIN2B
SCHEMBL8671560 0.78 SMN1; SMN2 (0.30) GRIN2B
SCHEMBL6609212 0.70 SLC6A4 (0.39) MRGPRX1ADRA1AADRA1BADRA1DSLC6A2

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
US-5814324-A OIL IN WATER EMULSION COMPRISING ANTIFUNGAL TRIAZOLE COMPOUND DISPERSED IN WATER WITH FATTY ACID TRIGLYCERIDE, LECITHIN EMULSIFIER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 — — US disclosed
US-5792780-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 — — US disclosed
Send feedback