SCHEMBL9367149

SCHEMBL9367149

Oc1cccc(C(O)CCc2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRB3 P13945 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD1 P21728 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A3 Q01959 1/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL499451 0.82 HIF1A (0.51) HIF1AADRB2ADRB1HTR1AADRA2A
SCHEMBL7871790 0.82 HIF1A (0.51) HIF1AADRB2ADRB1HTR1AADRA2A
SCHEMBL9366388 0.81 MAPK1 (0.55) TSHRLMNASMN1; SMN2GPR132
SCHEMBL16030438 0.79 CHRNA7 (0.53) ADRB2ADRB1ADRB3SLC6A3KDM4E
SCHEMBL6963546 0.79 CYP2D6 (0.53) HIF1ATSHRSLC6A3CYP19A1
SCHEMBL11071679 0.78 CHRNA7 (0.53) DRD1CHRNA7PTAFRESR1CYP19A1
SCHEMBL6962168 0.76 CYP11B1 (0.46) TSHRRAB9ALMNAKDM4ECHRNA7
SCHEMBL8403515 0.76 GPR132 (0.44) GPR132
SCHEMBL23655466 0.74 CHRNA7 (0.57) KDM4ECHRNA7CYP2A6L3MBTL1TDP1
SCHEMBL5016747 0.74 CHRNA7 (0.57) KDM4ECHRNA7CYP2A6L3MBTL1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0391624-B1 Substituted 1-[3-heteroarylmethoxy)phenyl] alkanols and related compounds in the treatment of asthma, arthritis and related diseases PFIZER (US) 1994-04-06 EP disclosed
US-5248685-A Substituted 1-[3-(heteroarylmethoxy)phenyl]alkanols and related compounds in the treatment of asthma PFIZER INC. (US) 1993-09-28 US disclosed
WO-1990012006-A1 SUBSTITUTED 1-[3-(HETEROARYLMETHOXY)PHENYL]ALKANOLS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1990-10-18 WO disclosed
EP-0391624-A1 Substituted 1-[3-heteroarylmethoxy)phenyl] alkanols and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1990-10-10 EP disclosed