SCHEMBL8465611

SCHEMBL8465611

O=C1c2cc(OCc3ccccn3)ccc2OCC1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.55
MAOA P21397 2/20 0.46
CYP19A1 P11511 2/20 0.44
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
GRM5 P41594 2/20 0.43
CYP3A4 P08684 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTR1A P08908 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL8465764 0.84 LTB4R (0.53) MAOB
SCHEMBL8461585 0.82 PDE10A (0.50)
SCHEMBL8465619 0.82 PDE4D (0.48) MAOBMAOACYP19A1BRD4CREBBP
SCHEMBL8465133 0.82 CYP19A1 (0.55) MAOBCYP19A1CYP3A4MAPTSMN1; SMN2
SCHEMBL8464485 0.80 MAOB (0.47) MAOBCYP19A1SMN1; SMN2MEN1KMT2A
SCHEMBL8463991 0.80 MAOB (0.65) MAOBCYP19A1CYP3A4MAPTSMN1; SMN2
SCHEMBL8465603 0.78 MAOB (0.46) MAOBCYP19A1CYP3A4MAPTMEN1
SCHEMBL8464264 0.78 LTB4R (0.66) CYP19A1
SCHEMBL8466345 0.78 LTB4R (0.66) CYP19A1
SCHEMBL8464260 0.78 LTB4R (0.66) CYP19A1

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
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP 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