SCHEMBL10912848

SCHEMBL10912848

CCCN(CCC)CC(O)c1cccc2[nH]cc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP51A1 Q16850 4/20 0.40
▸ HTR1A P08908 2/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ HTR1D P28221 2/20 0.37
▸ F2RL1 P55085 2/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.36
▸ HTR2A P28223 4/20 0.36
▸ HTR2C P28335 3/20 0.34
▸ HTR2B P41595 3/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR1E P28566 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ HTR6 P50406 1/20 0.34

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
SCHEMBL10911463 0.76 LMNA (0.40) SLC6A4GPR84HTR2ANR4A2
SCHEMBL28417664 0.74 GPR84 (0.42) SLC6A4GPR84HTR2AHTR2CHTR2B
SCHEMBL20458837 0.72 GPR84 (0.44) SLC6A4GPR84HTR2AHTR2CHTR2B
SCHEMBL22095932 0.71 GPR84 (0.44) SLC6A4GPR84HTR2AHTR2CHTR2B
SCHEMBL25248962 0.68 CYP51A1 (0.36) CYP51A1HTR1D
SCHEMBL30565982 0.68 CYP51A1 (0.36) CYP51A1HTR1D
SCHEMBL10911462 0.68 MDM2 (0.38) GPR84NR4A2
SCHEMBL24243710 0.66 HTR2A (0.63) HTR1ASLC6A4HTR1DGPR84HTR2A
SCHEMBL8912272 0.65 HTR2C (0.51) HTR1AHTR1DGPR84HTR2AHTR2C
SCHEMBL10262953 0.65 GPR84 (0.58) HTR1ASLC6A4GPR84HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0099766-B1 1-3-DIHYDRO 4-(1-HYDROXY-2-AMINO-ETHYL)-2H-INDOL-2-ONE DERIVATIVES, THEIR SALTS, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1986-04-09 — — EP disclosed
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