SCHEMBL6015812

SCHEMBL6015812

CN1CCN(C(=O)CCCOc2ccc3[c]c[nH]c3c2CN2CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 7/20 0.43
NPC1 O15118 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.38
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 4/20 0.36

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
SCHEMBL6015772 0.86 HPGD (0.51) HPGDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6016003 0.78 TLR7 (0.36) KMT2AMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL7646046 0.77 HPGD (0.40) HPGDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6015704 0.72 PDE3B (0.51) HPGDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6015731 0.68 MAPT (0.44) HPGDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL24163542 0.67 HPGD (1.00) HPGDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6015641 0.65 PDE3B (0.46) HPGDKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7372119 0.64 HPGD (0.58) HPGDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL3160508 0.64 RAB9A (0.59) HPGDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6015878 0.62 TSHR (0.51) ALDH1A1CYP1A2CYP2D6CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US claimed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed