SCHEMBL6431428

SCHEMBL6431428

Clc1cccc(CC2(Nc3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.45
▸ NPFFR1 Q9GZQ6 1/20 0.42
▸ NPFFR2 Q9Y5X5 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ PNMT P11086 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ GRIN2B Q13224 1/20 0.39
▸ ICMT O60725 1/20 0.39
▸ TAAR1 Q96RJ0 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39

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
SCHEMBL14018405 0.79 TAAR1 (0.50) SIGMAR1PNMTHSD11B1TAAR1CHRM2
SCHEMBL5071434 0.75 CHRM2 (0.41) SIGMAR1PNMTHSD11B1MAPTTAAR1
SCHEMBL5550695 0.72 SLC6A4 (0.45) LMNAHPGDPNMTMEN1KMT2A
SCHEMBL5222924 0.72 HSD11B1 (0.46) HPGDHSD11B1MEN1KMT2ATAAR1
SCHEMBL5383365 0.70 F2 (0.40) SIGMAR1LMNAPNMTHSD11B1GRIN2B
SCHEMBL25209309 0.69 PNMT (0.48) SIGMAR1PNMTHSD11B1TAAR1
SCHEMBL2473095 0.69 MAOA (0.59) SIGMAR1MAOBPNMTHSD11B1TAAR1
SCHEMBL1196472 0.69 MAOB (0.56) LMNAHPGDPLA2G1BMAOBATG4B
SCHEMBL30174702 0.69 PNMT (0.48) SIGMAR1PNMTHSD11B1TAAR1
Hydrochloric Acid SCHEMBL21879608 0.68 MAOB (0.57) SIGMAR1MAOBPNMTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 — — EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 — — WO disclosed
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