SCHEMBL8790447

SCHEMBL8790447

COc1ccc(CN(C)CCCc2ccc(N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.53
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
SMPD1 P17405 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
TSHR P16473 1/20 0.49
PYCR1 P32322 1/20 0.49
CYP19A1 P11511 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 1/20 0.47
MAOB P27338 2/20 0.46
CALM1 P0DP23 1/20 0.46

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
SCHEMBL3161566 0.85 TDP1 (0.61) AOC3BCHEACHETAAR1TSHR
SCHEMBL8790115 0.85 AOC3 (0.57) AOC3SMPD1TAAR1CYP19A1TDP1
SCHEMBL8789557 0.82 AOC3 (0.66) AOC3SMPD1TAAR1CYP19A1TDP1
SCHEMBL8789857 0.82 TSHR (0.73) BCHEACHETSHRPYCR1TDP1
SCHEMBL8789870 0.81 CYP19A1 (0.63) AOC3SMPD1CYP19A1SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL31687476 0.80 ACHE (0.56) AOC3BCHEACHESMPD1TAAR1
SCHEMBL11779614 0.80 BCHE (0.49) BCHEACHESMPD1TSHRTDP1
SCHEMBL8789232 0.79 KCNH2 (0.66) AOC3ACHESMPD1TAAR1SIGMAR1
SCHEMBL8746062 0.78 CYP19A1 (0.74) AOC3TAAR1CYP19A1TDP1MAPK1
SCHEMBL20909124 0.78 TSHR (0.58) AOC3BCHEACHESMPD1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 EP disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 US disclosed
EP-0649410-A1 ANILIDE DERIVATIVES. GLAXO LAB SA (FR) 1995-04-26 EP disclosed
WO-1994001408-A1 ANILIDE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1994-01-20 WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed