SCHEMBL7826769

SCHEMBL7826769

c1ccc(CN2CCNC[C@@H]2Cc2ccc3ccccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.50
▸ MITF O75030 1/20 0.49
▸ SLC6A4 P31645 9/20 0.49
▸ SLC6A2 P23975 7/20 0.49
▸ SLC6A3 Q01959 7/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ KCNH2 Q12809 2/20 0.43
▸ IDE P14735 1/20 0.43
▸ UBE2N P61088 1/20 0.43

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
SCHEMBL27469280 1.00 KMT2A (0.50) KMT2AMITFSLC6A4SLC6A2SLC6A3
SCHEMBL1415727 0.86 SLC6A2 (0.63) MITFSLC6A4SLC6A2SLC6A3TDP1
SCHEMBL6936570 0.86 SLC6A2 (0.63) MITFSLC6A4SLC6A2SLC6A3TDP1
SCHEMBL27505917 0.86 SLC6A2 (0.63) MITFSLC6A4SLC6A2SLC6A3TDP1
SCHEMBL13323425 0.80 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3TDP1KCNH2
SCHEMBL4649567 0.79 SLC6A2 (0.50) MITFSLC6A4SLC6A2SLC6A3TDP1
Pyridine SCHEMBL28173600 0.79 SLC6A2 (0.55) MITFSLC6A4SLC6A2SLC6A3TDP1
SCHEMBL23058169 0.76 SLC6A2 (0.50) MITFSLC6A4SLC6A2SLC6A3
SCHEMBL29247444 0.76 SLC6A2 (0.50) MITFSLC6A4SLC6A2SLC6A3
SCHEMBL28861068 0.76 SLC6A2 (0.47) MITFSLC6A4SLC6A2SLC6A3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655442-B1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 — — EP disclosed
US-5883098-A USED AS TACHYKININ ANTAGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND INFLAMMATORY DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 — — US disclosed
CN-1041923-C Piperazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1999-02-03 — — CN disclosed
US-5670505-A TACHYKIKIN ANTAGONIST FOR RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 — — US disclosed
EP-0655442-A1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-31 — — EP disclosed
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