SCHEMBL2909007

SCHEMBL2909007

COc1ccccc1OCCc1ccccc1CN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.46
MIF P14174 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
IDO1 P14902 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AOC3 Q16853 1/20 0.44

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
SCHEMBL15079892 0.79 LMNA (0.53) POLBL3MBTL1TDP1MTNR1AMTNR1B
SCHEMBL401448 0.77 KDM4E (0.75) TAAR1POLBL3MBTL1TDP1MTNR1A
SCHEMBL29633165 0.77 TAAR1 (0.69) TAAR1TDP1LMNACA12CA1
SCHEMBL39970 0.77 TAAR1 (0.69) TAAR1TDP1LMNACA12CA1
SCHEMBL1592409 0.77 CA12 (0.68) POLBL3MBTL1TDP1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL1623557 0.76 KDM4E (0.79) TAAR1POLBL3MBTL1TDP1MTNR1A
SCHEMBL6649844 0.76 L3MBTL1 (0.67) TAAR1POLBL3MBTL1TDP1MTNR1A
Ammonia Solution, Strong SCHEMBL7689341 0.75 TAAR1 (0.67) TAAR1TDP1LMNACA12CA1
Hydrochloric Acid SCHEMBL27527127 0.75 TAAR1 (0.67) TAAR1POLBTDP1LMNACA12
Hydrochloric Acid SCHEMBL9272901 0.75 TAAR1 (0.67) TAAR1POLBTDP1LMNACA12

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
EP-1756057-B1 PROCESS FOR THE PREPARATION OF CARVEDILOL CIPLA LTD (IN) 2010-08-04 EP claimed
EP-0004920-B1 DERIVATIVES OF CARBAZOLYL-4-OXYPROPANOLAMINE, METHODS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-08-05 EP disclosed
EP-0004920-A1 Derivatives of carbazolyl-4-oxypropanolamine, methods for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1979-10-31 EP disclosed