SCHEMBL634936

SCHEMBL634936

NCCOc1ccc(Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.57
TUBB4A P04350 2/20 0.52
TUBB P07437 2/20 0.52
TUBA3C P0DPH7 2/20 0.52
TUBA1B P68363 2/20 0.52
TUBA4A P68366 2/20 0.52
TUBB4B P68371 2/20 0.52
TUBB3 Q13509 2/20 0.52
TUBB2A Q13885 2/20 0.52
TUBB8 Q3ZCM7 2/20 0.52
TUBA3E Q6PEY2 2/20 0.52
TUBA1A Q71U36 2/20 0.52
TUBA1C Q9BQE3 2/20 0.52
TUBB6 Q9BUF5 2/20 0.52
TUBB2B Q9BVA1 2/20 0.52
TUBB1 Q9H4B7 2/20 0.52
MCL1 Q07820 2/20 0.47
TAAR1 Q96RJ0 1/20 0.46
PLA2G2A P14555 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL6476562 0.82 HTR6 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10443772 0.80 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28906516 0.76 HTR2A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11790794 0.76 MAPT (0.53) TAAR1KDM4EMEN1ALDH1A1MAPT
SCHEMBL6992348 0.76 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7138354 0.75 LTA4H (1.00) LTA4HTAAR1PLA2G2A
SCHEMBL4875370 0.74 HTR6 (0.70) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL29045025 0.73 KIF11 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31558742 0.72 HTR2A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL5130227 0.72 HTR6 (0.68) KDM4EMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419406-A1 PROCESSES FOR THE SYNTHESIS OF BAZEDOXIFENE ACETATE AND INTERMEDIATES THEREOF Sandoz AG (CH) 2012-02-22 EP disclosed
WO-2010118997-A1 PROCESSES FOR THE SYNTHESIS OF BAZEDOXIFENE ACETATE AND INTERMEDIATES THEREOF SANDOZ AG (CH) 2010-10-21 WO disclosed
EP-1076558-A1 2-PHENYL-1-[-(2-AMINOETHOXY)-BENZYL -INDOLE IN COMBINATION WITH ESTROGENS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-21 EP disclosed
EP-1025077-A1 NOVEL ARYLOXY-ALKYL-DIALKYLAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-09 EP disclosed
WO-1999059581-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE IN COMBINATION WITH ESTROGENS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-25 WO disclosed
WO-1999019293-A1 NOVEL ARYLOXY-ALKYL-DIALKYLAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-04-22 WO disclosed