SCHEMBL7209199

SCHEMBL7209199

NCCCn1cnc(N)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 13/20 0.36
▸ CPB1 P15086 6/20 0.36
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL24655835 0.87 — —
SCHEMBL27899099 0.83 CSNK2A2 (0.33) CPB2CPB1
SCHEMBL27744433 0.82 ADORA2B (0.32) CPB2CPB1
SCHEMBL2982508 0.82 CPB2 (0.43) CPB2CPB1
SCHEMBL27744446 0.80 CPB2 (0.39) CPB2CPB1
SCHEMBL9729220 0.79 TBXAS1 (0.46) CPB2CPB1TDP1
SCHEMBL466537 0.78 QPCT (0.43) —
SCHEMBL4393509 0.78 ALPL (0.40) CPB2CPB1CYP2C9TSHRCYP2C19
SCHEMBL27772454 0.77 — —
SCHEMBL24925524 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101309687-A Hydroxy and alkoxy substituted 1h-imidazoquinolines and methods COLEY PHARM GROUP INC (US) 2008-11-19 — — CN disclosed
EP-0921122-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2003-05-21 — — EP disclosed
US-6110967-A USEFUL AS AGENTS FOR PREVENTING AND TREATING METABOLIC OSTEOPATHY SUCH AS OSTEOPOROSIS, HYPERCALCEMIA AND BONE METASTASIS OF CANCER BECAUSE THEY SPECIFICALLY INHIBITS CATHEPSIN L AND ITS FAMILY ENZYMES TO INHIBIT BONE RESORPTION TAIHO PHARMACEUTICALS CO., LTD. (JP) 2000-08-29 — — US disclosed
EP-0921122-A1 NOVEL EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-06-09 — — EP disclosed
Send feedback