SCHEMBL10685148

SCHEMBL10685148

[CH](CC1CCCCN1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ LTA4H P09960 9/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ HTR1A P08908 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL11448868 0.95 POLB (0.50) POLBLTA4HKMT2A
SCHEMBL7407929 0.83 POLB (0.54) POLBLTA4HKMT2AHTR1AHTR1D
SCHEMBL7406856 0.83 POLB (0.54) POLBLTA4HKMT2AHTR1AHTR1D
SCHEMBL7418424 0.83 POLB (0.54) POLBLTA4HKMT2AHTR1AHTR1D
Hydrochloric Acid SCHEMBL7419292 0.82 POLB (0.53) POLBLTA4HKMT2AHTR1AHTR1D
SCHEMBL7406753 0.78 POLB (0.47) POLBLTA4HHTR1AHTR1DHTR2A
SCHEMBL7406748 0.78 POLB (0.47) POLBLTA4HHTR1AHTR1DHTR2A
SCHEMBL7408723 0.78 POLB (0.47) POLBLTA4HHTR1AHTR1DHTR2A
SCHEMBL22288111 0.74 POLB (0.51) POLBLTA4HKMT2A
SCHEMBL497968 0.74 KDM4E (0.42) POLB

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-4780478-A Aminopropoxy-chromones useful as antidepressants MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 1988-10-25 — — US disclosed
US-4508732-A Basic ethers useful as antidepressant agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-04-02 — — US disclosed
EP-0031885-B1 BASIC ETHERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION MERCK PATENT GmbH (DE) 1984-06-27 — — EP disclosed
US-4376123-A Hexahydroazepinyloxy-chromones useful as antidepressants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-03-08 — — US disclosed
EP-0031885-A1 Basic ethers, pharmaceutical compositions containing them and process for their preparation MERCK PATENT GmbH (DE) 1981-07-15 — — EP disclosed
US-4225608-A ANTIDEPRESSANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-30 — — US disclosed
EP-0004288-A2 Phenoxyalkyl amines, pharmaceutical compositions containing them, and process for their preparation MERCK PATENT GmbH (DE) 1979-10-03 — — EP disclosed
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