SCHEMBL7978285

SCHEMBL7978285

Cc1cc(C(=O)NCCN2CCCC2)ccc1Br

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.65
POLB P06746 2/20 0.62
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 2/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GLA P06280 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CACNA1G O43497 4/20 0.54
HTR3A P46098 1/20 0.53
KIT P10721 1/20 0.53

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
SCHEMBL4168121 0.89 POLB (0.80) POLBALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL14899242 0.84 ALDH1A1 (0.65) NPSR1POLBALDH1A1CYP1A2CYP2D6
SCHEMBL19175628 0.82 NPSR1 (0.65) NPSR1POLBALDH1A1CYP1A2CYP2D6
SCHEMBL20064055 0.81 KMT2A (0.62) NPSR1POLBALDH1A1CYP1A2CYP2D6
SCHEMBL30690828 0.81 NPSR1 (0.64) NPSR1POLBALDH1A1CYP1A2CYP2D6
SCHEMBL27277527 0.81 NPSR1 (0.64) NPSR1POLBALDH1A1CYP1A2CYP2D6
SCHEMBL279945 0.80 NPSR1 (0.97) NPSR1POLBALDH1A1CYP1A2CYP2D6
SCHEMBL2493968 0.80 ALDH1A1 (0.71) NPSR1POLBALDH1A1CYP1A2CYP2D6
SCHEMBL14924433 0.80 SMN1; SMN2 (0.70) NPSR1POLBALDH1A1CYP1A2CYP2D6
SCHEMBL10195008 0.79 NPSR1 (0.94) NPSR1POLBALDH1A1CYP1A2CYP2D6

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-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed