SCHEMBL10616634

SCHEMBL10616634

CC(=O)c1ccc2c3c(cccc13)CC(N(C)C)C2

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.65
ALDH1A1 P00352 7/20 0.65
HPGD P15428 4/20 0.65
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.43
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37

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
SCHEMBL10615355 0.83 KDM4E (0.44) KDM4EALDH1A1HPGDTSHRPOLB
SCHEMBL10762340 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL3528800 0.79 ALDH1A1 (1.00) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL10761937 0.78 CHRM3 (0.46) HPGDTSHRMAPTHSD17B10HTR1A
Hydrochloric Acid SCHEMBL10767066 0.78 KDM4E (0.63) KDM4EALDH1A1HPGDGAATSHR
Hydrochloric Acid SCHEMBL10615404 0.77 CHRM3 (0.45) HPGDTSHRMAPTHSD17B10HTR1A
SCHEMBL10615480 0.76 HTR2A (0.42) HTR1AHTR7
SCHEMBL10615435 0.75 HTR2A (0.43) HTR1AHTR7
Hydrochloric Acid SCHEMBL10618254 0.74 HTR2A (0.46) HTR1AHTR7
Hydrochloric Acid SCHEMBL10617650 0.74 HTR2A (0.46) HTR1AHTR7

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-0288477-A1 2,3-DIHYDRO-1H-PHENALENE-2-AMINO COMPOUNDS AS ANTI-PSYCHOTIC DRUGS THE UPJOHN COMPANY (US) 1988-11-02 EP claimed
EP-0234113-A1 2,3-Dihydro-1H-phenalene-2-amino compounds as anti-psychotic drugs THE UPJOHN COMPANY (US) 1987-09-02 EP claimed
WO-1987004153-A1 2,3-DIHYDRO-1H-PHENALENE-2-AMINO COMPOUNDS AS ANTI-PSYCHOTIC DRUGS THE UPJOHN COMPANY (US) 1987-07-16 WO claimed
EP-0288477-A1 2,3-DIHYDRO-1H-PHENALENE-2-AMINO COMPOUNDS AS ANTI-PSYCHOTIC DRUGS THE UPJOHN COMPANY (US) 1988-11-02 EP disclosed
EP-0234113-A1 2,3-Dihydro-1H-phenalene-2-amino compounds as anti-psychotic drugs THE UPJOHN COMPANY (US) 1987-09-02 EP disclosed
WO-1987004153-A1 2,3-DIHYDRO-1H-PHENALENE-2-AMINO COMPOUNDS AS ANTI-PSYCHOTIC DRUGS THE UPJOHN COMPANY (US) 1987-07-16 WO disclosed