SCHEMBL468006

SCHEMBL468006

FC(F)(F)c1ccc(C2(Oc3ccccc3C(F)(F)F)N=CC=CN2)cc1

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL14677727 0.61 LTA4H (0.52) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8346502 0.61 RXRA (0.33)
SCHEMBL6564279 0.61 ALDH1A1 (0.63) OPRM1OPRL1
SCHEMBL6232785 0.58 KDM1A (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL1814041 0.58 DRD2 (0.50) HTR1ASLC6A2SLC6A4SLC6A3ADRA2A
SCHEMBL1685381 0.57 LTA4H (0.46) HTR1ASLC6A2SLC6A4SLC6A3ADRA2A
SCHEMBL10495486 0.56 KMT2A (0.70)
SCHEMBL30544776 0.56 CYP11B1 (0.51)
SCHEMBL11048002 0.56 LTA4H (0.45) HTR1ASLC6A2SLC6A4SLC6A3ADRA2A
SCHEMBL9242571 0.56 HSD11B1 (0.53) ADRA2AADRA2BADRA2C

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
EP-2385756-A1 SOYBEAN EVENT 127 AND METHODS RELATED THERETO BASF Agrochemical Products, B.V. (NL) 2011-11-16 EP disclosed
US-8041483-B2 Exterior airbag deployment techniques AUTOMOTIVE TECHNOLOGIES INTERNATIONAL, INC. (US) 2011-10-18 US disclosed