SCHEMBL8301500

SCHEMBL8301500

CC(C)OCN1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)C1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.68
CACNA1F O60840 1/20 0.68
NR1I2 O75469 1/20 0.68
ABCB11 O95342 1/20 0.68
ABCB1 P08183 1/20 0.68
ADRB1 P08588 1/20 0.68
HTR1A P08908 1/20 0.68
ADRA2A P08913 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
CHRM1 P11229 1/20 0.68
DRD2 P14416 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
CHRM3 P20309 1/20 0.68
MAOA P21397 1/20 0.68
CNR1 P21554 1/20 0.68
DRD1 P21728 1/20 0.68
DRD4 P21917 1/20 0.68
KCNA5 P22460 1/20 0.68
SLC6A2 P23975 1/20 0.68

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
SCHEMBL8299464 0.91 KCNH2 (0.71) MLNRCACNA1FNR1I2ABCB11ABCB1
SCHEMBL8301622 0.89 KCNH2 (0.69) MLNRCACNA1FNR1I2ABCB11ABCB1
SCHEMBL7380855 0.88 MLNR (0.70) MLNRCACNA1FNR1I2ABCB11ABCB1
SCHEMBL8640730 0.88 KCNH2 (0.75) MLNRCACNA1FNR1I2ABCB11ABCB1
SCHEMBL8299751 0.86 KCNH2 (0.65) MLNRCACNA1FNR1I2ABCB11ABCB1
SCHEMBL8295653 0.86 KCNH2 (0.75) MLNRCACNA1FNR1I2ABCB11ABCB1
SCHEMBL9120920 0.86 KCNH2 (0.75) MLNRCACNA1FNR1I2ABCB11ABCB1
SCHEMBL9174331 0.86 KCNH2 (0.64) MLNRCACNA1FNR1I2ABCB11ABCB1
SCHEMBL8302277 0.86 KCNH2 (0.71) MLNRCACNA1FNR1I2ABCB11ABCB1
SCHEMBL8293846 0.84 KCNH2 (0.69) MLNRCACNA1FNR1I2ABCB11ABCB1

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-0592433-B1 SERTINDOLE PRODRUGS LUNDBECK & CO AS H (DK) 1999-01-20 EP disclosed
US-5428036-A Psychological disorders H. LUNDBECK A/S (DK) 1995-06-27 US disclosed