SCHEMBL11619656

SCHEMBL11619656

O=C(N1c2ccccc2C=Cc2ccccc21)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
SCN4A P35499 1/20 0.58
SCN5A Q14524 1/20 0.58
SCN9A Q15858 1/20 0.58
P2RX4 Q99571 16/20 0.55
P2RX1 P51575 5/20 0.51
P2RX3 P56373 5/20 0.51
P2RX7 Q99572 2/20 0.51
PTBP1 P26599 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL30719756 0.81 P2RX4 (0.62) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL9332938 0.81 LMNA (0.58) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL11620818 0.77 MAPK1 (0.36) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL1001947 0.76 BCHE (0.63)
SCHEMBL9419649 0.76 P2RX4 (0.59) P2RX4P2RX1P2RX3SMN1; SMN2NPSR1
SCHEMBL10653232 0.74 LMNA (0.39) LMNATSHRMAPK1SCN4ASCN5A
Hydrochloric Acid SCHEMBL5862630 0.74 P2RX4 (0.66) LMNATSHRMAPK1SCN4ASCN5A
Carbamazepine SCHEMBL6477112 0.74 LMNA (1.00) LMNATSHRMAPK1SCN4ASCN5A
Carbamazepine SCHEMBL29433237 0.74 LMNA (1.00) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL2211282 0.74 LMNA (0.64) LMNATSHRMAPK1SCN4ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4076812-A 10-Halogeno- or 10,11-dihalogeno derivatives of 5H-dibenz[b,f]azepine CIBA-GEIGY CORPORATION (US) 1978-02-28 US disclosed