SCHEMBL7167703

SCHEMBL7167703

CCOC(=O)C1CCN(C(C)CCN2c3ccccc3CCc3ccc(C)cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7167706 0.83 ALDH1A1 (0.48) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL7170838 0.83 ALDH1A1 (0.53) TSHRKDM4EKMT2AALDH1A1HPGD
SCHEMBL7170834 0.83 ALDH1A1 (0.53) TSHRKDM4EKMT2AALDH1A1HPGD
SCHEMBL7167704 0.82 ALDH1A1 (0.46) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL6968719 0.78 LMNA (0.52) KDM4EKMT2AALDH1A1POLBMAPT
SCHEMBL7172628 0.76 CHRM2 (0.54) KDM4EALDH1A1
SCHEMBL6961863 0.76 CHRM2 (0.57) ALDH1A1
SCHEMBL7163618 0.75 ALDH1A1 (0.61) TSHRKDM4EKMT2AALDH1A1MEN1
SCHEMBL7168069 0.75 MTNR1A (0.46) TSHRKDM4EKMT2AALDH1A1POLB
SCHEMBL6959063 0.75 DRD2 (0.52) TSHRKDM4EKMT2AMEN1MAPT

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
US-6569849-B1 N-Substituted azaheterocyclic compounds NOVO NORDISK A/S (DK) 2003-05-27 US disclosed
EP-0934306-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015546-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed