SCHEMBL7703944

SCHEMBL7703944

CC(C)=CC(=O)N(c1cccc(Br)c1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
TRPM8 Q7Z2W7 3/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
ALPG P10696 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PARP1 P09874 1/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6222858 0.81 SMN1; SMN2 (0.44) TRPM8ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9141329 0.80 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5262282 0.80 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7783953 0.78 ALDH1A1 (0.42) MTNR1AMTNR1BALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7709672 0.78 CHRNA1 (0.36) TRPM8ALDH1A1MEN1MAPTKMT2A
SCHEMBL9593539 0.75 MTNR1A (0.45) MTNR1AMTNR1BTRPM8ALDH1A1SMN1; SMN2
SCHEMBL2176096 0.72 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5263397 0.70 GLA (0.46) MTNR1AMTNR1BALDH1A1SMN1; SMN2LMNA
SCHEMBL14332374 0.70 SLC6A2 (0.36) MTNR1AMTNR1BALDH1A1L3MBTL1LMNA
SCHEMBL4438550 0.69 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1SMN1; SMN2L3MBTL1

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-1228042-A2 TETRAHYDROQUINOLINE DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2002-08-07 EP disclosed
WO-2001012606-A2 TETRAHYDROQUINOLINE DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 2001-02-22 WO disclosed
US-6127382-A AN ANTIPROLIFERATIVE AGENT FOR TREATING SKIN-RELATED DISEASES, AN ANTITUMOR AGENT TREATING CANCER, AN ANTIINFLAMMATORY AGENT TREATING PULMONARY FIBROSIS, ILEITIS, COLITIS AND KROHN'S DISEASE ALLERGAN SALES, INC. (US) 2000-10-03 US disclosed