SCHEMBL11219443

SCHEMBL11219443

COc1ccc2c(c1)OC(CCBr)CO2

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.64
FFAR1 O14842 3/20 0.48
MAPT P10636 3/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
ALOX5 P09917 5/20 0.41
ALDH1A1 P00352 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL11232203 0.94 MTNR1A (0.57) MTNR1AFFAR1MAPTGAAPOLB
SCHEMBL1870686 0.82 MTNR1A (0.63) MTNR1AFFAR1MAPTGAAPOLB
SCHEMBL29444764 0.82 MTNR1A (0.63) MTNR1AFFAR1MAPTGAAPOLB
SCHEMBL6982719 0.82 MTNR1A (0.63) MTNR1AFFAR1MAPTGAAPOLB
SCHEMBL7199006 0.82 MTNR1A (0.60) MTNR1AFFAR1MAPTGAAPOLB
SCHEMBL9206095 0.82 MTNR1A (0.60) MTNR1AFFAR1MAPTGAAPOLB
SCHEMBL9208736 0.82 MTNR1A (0.60) MTNR1AFFAR1MAPTGAAPOLB
Hydrochloric Acid SCHEMBL7829817 0.81 MTNR1A (0.58) MTNR1AFFAR1MAPTGAAPOLB
Hydrochloric Acid SCHEMBL7829814 0.81 MTNR1A (0.58) MTNR1AFFAR1MAPTGAAPOLB
SCHEMBL11235851 0.81 CA2 (0.56) MTNR1AFFAR1MAPTGAATDP1

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-4353901-A HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIAMIGRAINE, VASOSPASTIC DISORDERS, ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed