SCHEMBL8465619

SCHEMBL8465619

O=C1c2cc(OCc3ccccn3)ccc2CC1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.48
CYP19A1 P11511 4/20 0.48
ACHE P22303 3/20 0.45
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
BCHE P06276 1/20 0.43
SNRNP200 O75643 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL8464064 0.83 CYSLTR1 (0.49)
SCHEMBL8465611 0.82 MAOB (0.55) CYP19A1BRD4CREBBPMAOAMAOB
SCHEMBL7784427 0.78 CYP19A1 (0.62) CYP19A1ACHE
SCHEMBL30667087 0.78 CYP19A1 (0.62) CYP19A1ACHE
SCHEMBL8029113 0.74 THRA (0.45) PDE4DCYP19A1ACHEBRD4CREBBP
SCHEMBL8466193 0.74 CYP19A1 (0.60) CYP19A1ACHEMAOB
SCHEMBL8461347 0.74 CYP19A1 (0.52) CYP19A1
SCHEMBL8465850 0.73 LTB4R (0.43) BRD4CREBBPMAOAMAOBKDM4E
SCHEMBL8465852 0.73 LTB4R (0.43) BRD4CREBBPMAOAMAOBKDM4E
SCHEMBL15484711 0.73 CYP19A1 (0.62) PDE4DCYP19A1ACHEALDH1A1

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