SCHEMBL11114101

SCHEMBL11114101

CNC(=O)N1c2ccccc2C=C(C)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.50
ACHE P22303 1/20 0.50
P2RX4 Q99571 11/20 0.44
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RX1 P51575 2/20 0.38
P2RX3 P56373 2/20 0.38
P2RX7 Q99572 2/20 0.38
CES1 P23141 1/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SCN4A P35499 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MEN1 O00255 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
SCHEMBL11112161 0.84 BCHE (0.49) BCHEACHEP2RX4P2RX1P2RX3
SCHEMBL11113522 0.81 P2RX4 (0.45) P2RX4MAPTKMT2AALDH1A1P2RX1
SCHEMBL11111113 0.81 LMNA (0.59) BCHEACHEP2RX4MAPTKMT2A
SCHEMBL11118498 0.81 BCHE (0.47) BCHEACHEP2RX4MAPTKMT2A
SCHEMBL11109304 0.80 BCHE (0.46) BCHEACHEP2RX4P2RX1P2RX3
SCHEMBL11113845 0.79 P2RX4 (0.67) BCHEACHEP2RX4P2RX1P2RX3
SCHEMBL18522349 0.76 SMN1; SMN2 (0.40) BCHEACHEMAPTKMT2AKDM4E
SCHEMBL10655660 0.71 CES1 (0.67) BCHEACHEMAPTKMT2AALDH1A1
SCHEMBL11358923 0.71 ASAH1 (0.54) BCHEACHEMAPTKDM4EALDH1A1
SCHEMBL12459415 0.70 GPR84 (0.54) MAPTKMT2AKDM4EALDH1A1CES1

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