SCHEMBL6014772

SCHEMBL6014772

c1cncc(COc2nccnc2N2CCNCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.58
HRH4 Q9H3N8 1/20 0.52
NMT1 P30419 2/20 0.52
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PTPN11 Q06124 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 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
SCHEMBL4311359 0.86 NMT1 (0.48) HTR6NMT1CHRNB2CHRNA4EPHX2
SCHEMBL2385259 0.85 HRH4 (0.48) HRH4EPHX2CYP3A4HTR1ASLC6A2
SCHEMBL4320113 0.81 CHRNB2 (0.48) CHRNB2CHRNA4EPHX2
Hydrochloric Acid SCHEMBL7059560 0.79 HTR2C (0.58) HTR6HRH4HTR1ACHRM1CHRM3
SCHEMBL4674253 0.78 HTR6 (0.59) HTR6NMT1PDE3BPDE3ACHRNB2
SCHEMBL4313551 0.77 CHKA (0.47) EPHX2SLC6A4
SCHEMBL4320992 0.77 HRH4 (0.50) HTR6HRH4HTR1A
SCHEMBL4313634 0.76 HTR1A (0.47) HTR6EPHX2HTR1ASLC6A2SLC6A4
SCHEMBL4314576 0.75 HTR6 (0.48) HTR6HRH4EPHX2HTR1ASLC6A2
SCHEMBL29664303 0.75 HTR6 (0.58) HTR6HRH4NMT1PDE3BPDE3A

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-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed