SCHEMBL7939166

SCHEMBL7939166

CC1C(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 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
TACR1 P25103 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7939157 0.95 TACR1 (0.34) HTR1AHTR7TACR1
SCHEMBL7937964 0.84 RXRA (0.32)
SCHEMBL7926988 0.80 DRD2 (0.31)
Hydrochloric Acid SCHEMBL7133093 0.80 TACR1 (0.34) HTR1AHTR7TACR1MEN1KMT2A
Hydrochloric Acid SCHEMBL7526331 0.80 HTR1A (0.32) HTR1AHTR7TACR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6927007 0.77 TACR1 (0.34) HTR1AHTR7TACR1
Hydrochloric Acid SCHEMBL6930149 0.77 TACR1 (0.37) HTR1AHTR7TACR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6924045 0.77 TACR1 (0.37) HTR1AHTR7TACR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6927670 0.77 TACR1 (0.34) HTR1AHTR7TACR1
SCHEMBL8366201 0.75 TACR1 (0.32) HTR1AHTR7TACR1

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-20010049425-A1 High-melting polyolefin copolymer elastomers, catalysts and methods of synthesis BP CORPORATION NORTH AMERICA INC. 2001-12-06 US claimed
US-20010034426-A1 High-melting polyolefin copolymer elastomers, catalysts and methods of synthesis BP CORPORATION NORTH AMERICA INC. 2001-10-25 US claimed