SCHEMBL11019544

SCHEMBL11019544

Cc1cccc(C)c1-c1ccccc1OCCCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ TSHR P16473 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KCNA3 P22001 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ SSTR2 P30874 1/20 0.40
▸ SSTR4 P31391 1/20 0.40

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
SCHEMBL11019939 0.89 HTR1B (0.46) HTR1BRAB9ATP53MAPK1KDM4E
SCHEMBL10677366 0.87 HTR1B (0.44) HTR1BRAB9ATP53MAPK1KDM4E
SCHEMBL11018432 0.87 TSHR (0.42) HTR1BRAB9ATP53MAPK1KDM4E
SCHEMBL11021541 0.87 RAB9A (0.47) HTR1BRAB9ATP53MAPK1KDM4E
SCHEMBL10678598 0.84 HTR1B (0.45) HTR1BRAB9ATP53MAPK1KDM4E
SCHEMBL11019776 0.83 HTR1B (0.46) HTR1BMAPK1KDM4ETSHRHPGD
SCHEMBL11019533 0.83 KDM4E (0.58) HTR1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL12230884 0.82 ALDH1A1 (0.57) HTR1BRAB9AMAPK1KDM4ETSHR
SCHEMBL2804367 0.82 ALDH1A1 (0.57) HTR1BRAB9AMAPK1KDM4ETSHR
SCHEMBL15923371 0.82 ALDH1A1 (0.57) HTR1BRAB9AMAPK1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157652-A1 2-, 3- And 4-biphenyloxyaminoalkanes and related compounds, their preparation and uses, and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-10-09 — — EP disclosed
Send feedback