SCHEMBL11110072

SCHEMBL11110072

CCCCN(CCCC)C(=O)N1c2ccccc2C=C(OC)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 8/20 0.54
P2RX1 P51575 4/20 0.54
P2RX3 P56373 3/20 0.54
P2RX7 Q99572 2/20 0.47
PTBP1 P26599 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BCHE P06276 2/20 0.44
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TACR1 P25103 1/20 0.36
CACNA1B Q00975 1/20 0.35
CHRM2 P08172 1/20 0.35
PDK1 Q15118 1/20 0.35

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
SCHEMBL11115519 0.81 P2RX4 (0.47) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL11108291 0.79 BCHE (0.54) P2RX4NPSR1BCHEPOLBGAA
SCHEMBL4458688 0.76 P2RX4 (0.43) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL1572434 0.76 P2RX4 (0.62) P2RX4P2RX1P2RX3P2RX7BCHE
SCHEMBL1572458 0.76 LMNA (0.54) P2RX4P2RX1P2RX3P2RX7BCHE
SCHEMBL11118498 0.74 BCHE (0.47) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL11113107 0.71 ALDH1A1 (0.56) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL15871613 0.70 CDC25A (0.51) CES1
SCHEMBL1572427 0.69 P2RX4 (0.56) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL24119510 0.69 ALDH1A1 (0.48) P2RX4P2RX1P2RX3SMN1; SMN2BCHE

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
EP-0108715-A1 Dibenzazepine carboxamides CIBA-GEIGY AG (CH) 1984-05-16 EP claimed
EP-0108715-A1 Dibenzazepine carboxamides CIBA-GEIGY AG (CH) 1984-05-16 EP disclosed