SCHEMBL7290337

SCHEMBL7290337

CCCCCc1ccc2[nH]c(=O)cc([C]=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 4/20 0.44
▸ CTSV O60911 3/20 0.43
▸ CTSL P07711 3/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ UNG P13051 3/20 0.42
▸ GHSR Q92847 3/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ AR P10275 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RORA P35398 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ RORB Q92753 1/20 0.38

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
SCHEMBL7074282 0.83 LMNA (0.51) GPR84CTSVCTSLHTR1AHTR1D
SCHEMBL7069908 0.82 LMNA (0.50) GPR84CTSVCTSLHTR1AHTR1D
SCHEMBL11007109 0.80 GPR84 (0.51) GPR84CTSVCTSLHTR1AHTR1D
SCHEMBL7290340 0.78 GPR84 (0.44) GPR84CTSVCTSLHTR1AHTR1D
SCHEMBL532789 0.77 HTR1A (0.55) CTSVCTSLHTR1AHTR1DHTR1B
SCHEMBL23674280 0.76 MEN1 (0.53) GPR84CTSVCTSLHTR1AHTR1D
SCHEMBL23695580 0.76 GPR84 (0.52) GPR84CTSVCTSLHTR1AKMT2A
SCHEMBL4581413 0.76 HTR1A (0.57) CTSVCTSLHTR1AHTR1DHTR1B
SCHEMBL12795553 0.76 HTR1A (0.57) CTSVCTSLHTR1AHTR1DHTR1B
SCHEMBL31070057 0.76 HTR1A (0.57) CTSVCTSLHTR1AHTR1DHTR1B

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
Send feedback