SCHEMBL8615090

SCHEMBL8615090

CN(C)CCn1ccc2ccc(NC(=O)Nc3ccc(-c4ccncc4)c4ccccc34)cc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.49
HTR1D P28221 4/20 0.46
HTR2C P28335 4/20 0.44
HTR2B P41595 2/20 0.44
PIK3CA P42336 3/20 0.43
MTOR P42345 3/20 0.43
HTR2A P28223 2/20 0.41
HTR1A P08908 1/20 0.40
HTR1B P28222 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRKCA P17252 1/20 0.39
PRKACB P22694 1/20 0.39

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
SCHEMBL8622676 0.81 HTR2B (0.51) HTR6HTR2CHTR2BPIK3CAMTOR
SCHEMBL8615837 0.76 POLB (0.39) HTR1DHTR2AHTR1AHTR1BMAPT
SCHEMBL8587765 0.76 HTR1D (0.44) HTR1DHTR2CHTR2BHTR2AHTR1A
SCHEMBL8589275 0.76 MEN1 (0.52) HTR6HTR1DHTR2CHTR2ANPC1
SCHEMBL8587699 0.75 KDR (0.43) HTR2CHTR2BKDM4ESMN1; SMN2
SCHEMBL8588618 0.74 HRH3 (0.41) HTR1DHTR2CHTR2BHTR1B
SCHEMBL8657486 0.72 KDM4C (0.38) HTR1DHTR2CHTR2BHTR1AHTR1B
SCHEMBL8590672 0.70 KDR (0.45) KDM4ESMN1; SMN2
SCHEMBL8119592 0.69 HTR1A (0.67) HTR6HTR1DHTR2CHTR2BMTOR
SCHEMBL1122382 0.69 HTR6 (0.51) HTR6HTR1DHTR2CHTR2A

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
WO-1998047868-A1 HETEROCYCLE-CONTAINING UREA DERIVATIVES AS 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-10-29 WO claimed
WO-1998047868-A1 HETEROCYCLE-CONTAINING UREA DERIVATIVES AS 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-10-29 WO disclosed