SCHEMBL8962940

SCHEMBL8962940

CCCOc1ccc(-c2ccc(C3CCC(/C=C/Cl)CC3)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
KDM1A O60341 2/20 0.35
FPR2 P25090 8/20 0.34
PDE4B Q07343 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
PRMT5 O14744 1/20 0.33
PDE4A P27815 2/20 0.33
BTK Q06187 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
S1PR1 P21453 1/20 0.32
JAK2 O60674 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
SCHEMBL8962946 1.00 HRH3 (0.36) HRH3KDM1AFPR2PDE4BNR1H4
SCHEMBL8962990 0.91 KDM1A (0.44) HRH3KDM1AFPR2NR1H4PRMT5
SCHEMBL8962982 0.91 KDM1A (0.44) HRH3KDM1AFPR2NR1H4PRMT5
SCHEMBL9540986 0.91 NAAA (0.38) HRH3KDM1AFPR2NR1H4PRMT5
SCHEMBL20803584 0.86 GABRA1 (0.39) HRH3KDM1AFPR2PDE4BPDE4A
SCHEMBL8962824 0.85 KDM1A (0.41) KDM1A
SCHEMBL8962831 0.85 KDM1A (0.41) KDM1A
SCHEMBL8962630 0.82 RAB9A (0.41) HRH3
SCHEMBL8962634 0.82 RAB9A (0.41) HRH3
SCHEMBL20803726 0.81 KDM1A (0.46) HRH3KDM1AFPR2NR1H4PDE4A

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-0559860-B1 HALOVINYL-DERIVATIVES HOFFMANN LA ROCHE (CH) 1996-02-14 EP disclosed
US-5364556-A Halovinyl-derivatives HOFFMANN-LA ROCHE INC. (US) 1994-11-15 US disclosed