SCHEMBL6999610

SCHEMBL6999610

C=CC(c1ccccc1)N1CCc2c(OC)cccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
HTR1A P08908 8/20 0.37
ALDH1A1 P00352 2/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL27010071 0.76 NOTUM (0.55) NOTUMDRD2DRD1DRD5DRD3
SCHEMBL7001566 0.75 NOTUM (0.46) NOTUMDRD2DRD1DRD5DRD3
SCHEMBL7002593 0.74 SLC6A2 (0.48) NOTUMDRD2DRD1DRD5DRD3
SCHEMBL2073396 0.73 SLC6A2 (0.47) NOTUMDRD3HTR1AHTR2CHTR2B
SCHEMBL3293816 0.70 NPSR1 (0.47) NOTUMALDH1A1LMNA
SCHEMBL24317347 0.68 NOTUM (0.49) NOTUMDRD2DRD1DRD5DRD3
SCHEMBL2625801 0.68 NOTUM (0.59) NOTUMDRD2DRD1DRD5DRD3
SCHEMBL7948766 0.68 SIGMAR1 (0.47) NOTUMHTR1A
SCHEMBL20905152 0.67 NOTUM (0.70) NOTUMDRD2ALDH1A1
SCHEMBL11304976 0.66 HTR6 (0.62) NOTUMDRD2HTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140943-B1 SUBSTITUTED PYRROLOINDOLES LILLY CO ELI (US) 2003-08-13 EP disclosed
US-6448284-B1 PYRROLO(1,2-A)INDOLES; INHIBITING NONPANCREATIC SECRETORY PHOSPHOLIPASE A2 MEDIATED RELEASE OF FATTY ACIDS; SEPTIC SHOCK ELI LILLY AND COMPANY 2002-09-10 US disclosed
EP-1140943-A2 SUBSTITUTED PYRROLOINDOLES ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000037472-A2 SUBSTITUTED PIRROLOINDOLES ELI LILLY AND COMPANY (US) 2000-06-29 WO disclosed