SCHEMBL6583064

SCHEMBL6583064

ClCCCN1CCCN(Cc2ccc3ccccc3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.50
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
GRIN2B Q13224 1/20 0.46
HTR1A P08908 4/20 0.45
HTR7 P34969 1/20 0.45
DRD4 P21917 1/20 0.43
PDE2A O00408 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL6588623 0.96 FAAH (0.53) FAAHMEN1MAPTKMT2AHTR1A
SCHEMBL6584608 0.87 FAAH (0.60) FAAHMEN1MAPTKMT2AGRIN2B
SCHEMBL1331198 0.83 FAAH (0.65) FAAHMEN1MAPTKMT2AHTR1A
SCHEMBL17289123 0.83 FAAH (0.65) FAAHMEN1MAPTKMT2AHTR1A
SCHEMBL13940592 0.81 HRH3 (0.58) FAAHMEN1KMT2AGRIN2BHTR1A
SCHEMBL1332790 0.80 SLC2A1 (0.51) FAAHMEN1MAPTKMT2AHTR1A
SCHEMBL13150413 0.80 SIGMAR1 (0.59) FAAHKMT2A
SCHEMBL6769249 0.80 CCR2 (0.58) FAAHMEN1MAPTKMT2AGRIN2B
SCHEMBL23750987 0.79 FAAH (0.55) FAAHMEN1MAPTKMT2AHTR1A
SCHEMBL7495658 0.79 FAAH (0.55) FAAHMEN1MAPTKMT2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
US-6127360-A ANTIHISTAMINES, ANTILEUKOTRIENES, ANTIINFLAMMATORY AGENTS, ANTIASTHMATIC AGENTS KOWA CO., LTD. (JP) 2000-10-03 US disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed