SCHEMBL7654810

SCHEMBL7654810

O=C(Nc1ccc2c(ccn2CCCc2ccccc2)c1)Nc1ccnc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.68
HTR2B P41595 8/20 0.68
NTSR1 P30989 1/20 0.47
ERBB2 P04626 1/20 0.45
RORC P51449 1/20 0.45
ROCK1 Q13464 2/20 0.43
NR1I2 O75469 1/20 0.42
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
PDPK1 O15530 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
CDK1 P06493 1/20 0.41
PIM1 P11309 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
CSNK1D P48730 1/20 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
SCHEMBL30794779 0.89 HTR2C (0.70) HTR2CHTR2BNTSR1ERBB2NR1I2
SCHEMBL5801524 0.89 HTR2C (0.70) HTR2CHTR2BNTSR1ERBB2NR1I2
Hydrochloric Acid SCHEMBL7659046 0.86 HTR2C (0.66) HTR2CHTR2BNTSR1ERBB2PLK4
SCHEMBL7660298 0.85 HTR2B (0.76) HTR2CHTR2BNTSR1PLK4CHEK1
SCHEMBL7655395 0.84 HTR2C (0.66) HTR2CHTR2BNTSR1RAB9ASMN1; SMN2
SCHEMBL7660018 0.81 HTR2C (1.00) HTR2CHTR2BNTSR1PLK4CHEK1
SCHEMBL7369055 0.75 HTR2C (0.69) HTR2CHTR2BPLK4CHEK1PDPK1
SCHEMBL8944851 0.75 HTR2C (0.86) HTR2CHTR2BRAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7656179 0.74 HTR2C (0.98) HTR2CHTR2BPLK4CHEK1PDPK1
SCHEMBL7452301 0.72 NPC1 (0.72) HTR2CHTR2BPLK4CHEK1PDPK1

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
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US claimed
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed