SCHEMBL8366201

SCHEMBL8366201

CC1=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C2=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[CH]c3ccccc32)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
IKBKB O14920 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 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
SCHEMBL8364761 0.79 LMNA (0.31)
Hydrochloric Acid SCHEMBL8361840 0.77 TACR1 (0.33) TACR1HTR1AHTR7RXRARXRB
Hydrochloric Acid SCHEMBL8364207 0.77 TACR1 (0.33) TACR1IKBKBHTR1AHTR7RXRA
SCHEMBL7939166 0.75 HTR1A (0.31) TACR1HTR1AHTR7
Hydrochloric Acid SCHEMBL8364768 0.74 TACR1 (0.35) TACR1CNR1CNR2RXRARXRB
Hydrochloric Acid SCHEMBL8361917 0.74 TACR1 (0.36) TACR1RXRARXRB
Hydrochloric Acid SCHEMBL8366175 0.74 TACR1 (0.36) TACR1RXRARXRB
Hydrochloric Acid SCHEMBL8366096 0.74 TACR1 (0.35) TACR1CNR1CNR2RXRARXRB
SCHEMBL7939157 0.71 TACR1 (0.34) TACR1CNR1CNR2HTR1AHTR7
Hydrochloric Acid SCHEMBL8364269 0.64 RXRB (0.33) RXRARXRB

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-1999035171-A1 HIGH-MELTING POLYOLEFIN COPOLYMER ELASTOMERS, CATALYSTS AND METHODS OF SYNTHESIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JR. UNIVERSITY (US) 1999-07-15 WO claimed