SCHEMBL6977954

SCHEMBL6977954

COc1ccc2c(c1)c(OCc1c(F)ccc(F)c1F)nn2Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.53
CNR1 P21554 5/20 0.53
ACHE P22303 6/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
SLC6A4 P31645 4/20 0.41
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL6978209 0.83 CNR1 (0.49) CNR2CNR1ACHEKDM4ELMNA
SCHEMBL6968036 0.82 CNR1 (0.49) CNR2CNR1ACHEKDM4ELMNA
SCHEMBL6974448 0.80 CNR1 (0.48) CNR2CNR1ACHEKDM4ELMNA
SCHEMBL8809942 0.78 KDM4E (0.58) CNR2CNR1ACHEKDM4ELMNA
SCHEMBL6975318 0.77 CNR1 (0.48) CNR2CNR1ACHEKDM4EHTR2A
SCHEMBL6969861 0.77 CNR2 (0.44) CNR2CNR1ACHEKDM4ELMNA
SCHEMBL6969602 0.77 CNR2 (0.52) CNR2CNR1ACHEKDM4EMAPT
SCHEMBL6966885 0.76 KDM4E (0.50) CNR2CNR1KDM4ELMNACYP1A2
SCHEMBL8812598 0.72 MEN1 (0.50) CNR2CNR1KDM4ELMNACYP1A2
SCHEMBL6975356 0.71 LMNA (0.45) KDM4ELMNACYP1A2CYP3A4CYP2C9

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
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP claimed