SCHEMBL8465852

SCHEMBL8465852

OC1c2cc(OCc3ccccn3)ccc2CC1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.43
ALOX5AP P20292 2/20 0.40
PARP10 Q53GL7 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
GPR132 Q9UNW8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
FAAH O00519 2/20 0.38
ABCB1 P08183 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 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
SCHEMBL8465850 1.00 LTB4R (0.43) LTB4RALOX5APPARP10BRD4CREBBP
SCHEMBL8462235 0.83 LTB4R (0.60) LTB4RALOX5AP
SCHEMBL8462237 0.83 LTB4R (0.60) LTB4RALOX5AP
SCHEMBL8465966 0.82 LTB4R (0.63) LTB4R
SCHEMBL8465962 0.82 LTB4R (0.63) LTB4R
SCHEMBL8465960 0.82 LTB4R (0.63) LTB4R
Hydrochloric Acid SCHEMBL8462157 0.81 LTB4R (0.62) LTB4R
Hydrochloric Acid SCHEMBL8462154 0.81 LTB4R (0.62) LTB4R
Hydrochloric Acid SCHEMBL8462150 0.81 LTB4R (0.62) LTB4R
SCHEMBL8030865 0.74 HRH3 (0.40) ALOX5APPARP10BRD4CREBBPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed