SCHEMBL9820372

SCHEMBL9820372

CCCN(CCC)C(=O)CCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.47
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 2/20 0.41
GABBR2 O75899 2/20 0.41
GABRR1 P24046 2/20 0.41
GABBR1 Q9UBS5 2/20 0.41
GABRR3 A8MPY1 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
HDAC3 O15379 1/20 0.41
THRB P10828 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 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
SCHEMBL22697507 0.92 ALDH1A1 (0.52) ALDH1A1HPGDLMNACYP1A2TSHR
SCHEMBL19604139 0.92 ALDH1A1 (0.52) ALDH1A1HPGDLMNACYP1A2TSHR
SCHEMBL20536280 0.89 MMP1 (0.48) ALDH1A1HPGDLMNACYP1A2CA12
SCHEMBL3210666 0.86 ALDH1A1 (0.59) ALDH1A1HPGDLMNACYP1A2CA12
SCHEMBL19404635 0.86 ALDH1A1 (0.64) ALDH1A1HPGDLMNACA12CA2
SCHEMBL3310896 0.86 ALDH1A1 (0.64) ALDH1A1HPGDLMNACA12CA2
SCHEMBL26048394 0.86 DNM1 (0.44) ALDH1A1LMNACA12CA2TSHR
SCHEMBL31050952 0.86 DNM1 (0.44) ALDH1A1LMNACA12CA2TSHR
SCHEMBL16692096 0.85 ALDH1A1 (0.46) ALDH1A1HPGDLMNATSHRHDAC3
SCHEMBL8382529 0.84 ALDH1A1 (0.48) ALDH1A1HPGDLMNACA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317588-B1 ISOXAZOLES WITH NOOTROPIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 1991-08-07 EP disclosed
EP-0317588-A1 ISOXAZOLES WITH NOOTROPIC ACTIVITY. ZAMBON SPA (IT) 1989-05-31 EP disclosed
WO-1988009330-A1 ISOXAZOLES WITH NOOTROPIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 1988-12-01 WO disclosed