SCHEMBL7296915

SCHEMBL7296915

O=CCCCCCC1CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.42
▸ KMT2A Q03164 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.38
▸ CPN1 P15169 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ SLC6A1 P30531 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ SLC6A12 P48065 2/20 0.34
▸ SLC6A11 P48066 2/20 0.34
▸ SLC6A13 Q9NSD5 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRR1 P24046 1/20 0.34
▸ GABRA4 P48169 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
SCHEMBL7357879 0.87 SLC6A1 (0.46) NAAAHRH3KMT2AHRH4SLC6A1
SCHEMBL5808150 0.85 KMT2A (0.44) NAAAHRH3KMT2AHRH4CPN1
SCHEMBL11170648 0.85 HRH3 (0.51) NAAAHRH3KMT2AHRH4CPN1
SCHEMBL5806827 0.80 SLC6A1 (0.41) NAAAHRH3KMT2AHRH4CPN1
SCHEMBL26620276 0.79 SIGMAR1 (0.50) EPHX1SIGMAR1TSHR
SCHEMBL11151075 0.79 SIGMAR1 (0.50) EPHX1SIGMAR1TSHR
SCHEMBL11102125 0.79 SIGMAR1 (0.50) EPHX1SIGMAR1TSHR
SCHEMBL7704486 0.79 HRH3 (0.53) NAAAHRH3KMT2AHRH4CPN1
SCHEMBL5254997 0.79 NAAA (0.42) NAAAHRH3KMT2AHRH4CPN1
SCHEMBL5663061 0.78 HRH3 (0.46) NAAAHRH3KMT2AHRH4CPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 — — US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 — — US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 — — EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 — — EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 — — WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 — — US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 — — EP disclosed
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