SCHEMBL7092826

SCHEMBL7092826

COc1ccc(NCC(OC)OC)cc1OCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.50
EHMT2 Q96KQ7 1/20 0.48
EHMT1 Q9H9B1 1/20 0.48
HTR2C P28335 6/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
LTA4H P09960 1/20 0.47
POLB P06746 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6410204 0.99 HTR2C (0.49) MCHR1EHMT2EHMT1HTR2CHTR2A
SCHEMBL7010009 0.90 HTR2C (0.49) HTR2CHTR2AHTR2BPOLB
SCHEMBL7003036 0.82 RXFP1 (0.44) MCHR1EHMT2
SCHEMBL6408957 0.78 HTR2C (0.61) HTR2CHTR2AHTR2B
SCHEMBL7755432 0.78 UTS2R (0.48) MCHR1HTR2CHTR2AHTR2BSIGMAR1
SCHEMBL25616178 0.76 EHMT2 (0.66) MCHR1EHMT2EHMT1LTA4HSIGMAR1
SCHEMBL6628800 0.76 CHRNB4 (0.44) SMN1; SMN2
SCHEMBL8351425 0.75 SMN1; SMN2 (0.71) HTR2CHTR2AHTR2BLTA4HPOLB
SCHEMBL12409045 0.74 SMN1; SMN2 (0.74) HTR2CHTR2AHTR2BLTA4HPOLB
SCHEMBL1929865 0.74 HTR2C (0.58) EHMT2EHMT1HTR2CHTR2AHTR2B

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
EP-1309551-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002014273-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-21 WO disclosed