SCHEMBL6990656

SCHEMBL6990656

O=C1CCN(Cc2ccccc2)C(=O)c2c1ccn2CCN1CCN(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
DRD4 P21917 1/20 0.45
HTR1A P08908 6/20 0.43
DRD2 P14416 2/20 0.43
HTR7 P34969 3/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
SIGMAR1 Q99720 3/20 0.41

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
SCHEMBL6990381 0.94 HTR1A (0.49) ADRA1DADRA1AADRA1BDRD4HTR1A
SCHEMBL6984315 0.94 HTR1A (0.49) ADRA1DADRA1AADRA1BDRD4HTR1A
SCHEMBL6991218 0.93 HTR1A (0.50) HTR1ADRD2HTR7DRD5DRD3
SCHEMBL6988196 0.93 HTR1A (0.50) HTR1ADRD2HTR7DRD5DRD3
SCHEMBL6993124 0.88 HTR1A (0.49) ADRA1DADRA1AADRA1BDRD4HTR1A
SCHEMBL6990399 0.86 ADRA2A (0.46) ADRA1BDRD4HTR1AHTR7
SCHEMBL6989705 0.82 L3MBTL1 (0.41)
SCHEMBL6991433 0.80 L3MBTL1 (0.39)
SCHEMBL9041354 0.80 L3MBTL1 (0.39) HTR1AHTR7
SCHEMBL6994151 0.80 HTR1A (0.50) DRD4HTR1ADRD2HTR7DRD5

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-0551527-B1 PYRROLOAZEPINE DERIVATIVE SUNTORY LTD (JP) 2003-04-02 EP disclosed
US-5397780-A Antiserotonine, hypotensive, congestive heart failure SUNTORY LIMITED (JP) 1995-03-14 US disclosed
EP-0551527-A1 PYRROLOAZEPINE DERIVATIVE SUNTORY LIMITED (JP) 1993-07-21 EP disclosed