SCHEMBL7874130

SCHEMBL7874130

Cc1cc(NC(=O)C2CCOCC2)ccc1OCCNC(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.47
ABL1 P00519 2/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
EPHX2 P34913 1/20 0.41
GBA1 P04062 1/20 0.40
GLA P06280 1/20 0.40
SIRT2 Q8IXJ6 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
Hydrochloric Acid SCHEMBL7873994 0.99 P2RX3 (0.47) P2RX3ABL1CNR1CNR2KDM4E
Hydrochloric Acid SCHEMBL7862091 0.85 LMNA (0.40) P2RX3ABL1CNR1CNR2MAPT
SCHEMBL7869785 0.84 HRH3 (0.49) MAPTPOLBSIRT2
Hydrochloric Acid SCHEMBL7866529 0.83 HRH3 (0.48) MAPTPOLBSIRT2
Hydrochloric Acid SCHEMBL7868487 0.79 ABL1 (0.40) P2RX3ABL1MAPT
SCHEMBL7862201 0.78 ACACB (0.47) MAPTPOLBEPHX2
Hydrochloric Acid SCHEMBL7869860 0.77 ACACB (0.46) ABL1MAPTPOLB
SCHEMBL7866950 0.75 LMNA (0.48) KDM4EMAPTPOLB
Hydrochloric Acid SCHEMBL7874134 0.74 LMNA (0.47) KDM4EMAPTPOLB
Hydrochloric Acid SCHEMBL7870706 0.73 MCHR1 (0.48) KDM4EMAPTPOLB

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
US-6300368-B1 FOR THERAPY OF ATRIAL ARRHYTHMIA MITSUI CHEMICALS, INC. (JP) 2001-10-09 US disclosed
EP-0968999-A1 Anilide derivatives and antiarrhythmic agents containing the same Mitsui Chemicals, Inc. (JP) 2000-01-05 EP disclosed