SCHEMBL8695905

SCHEMBL8695905

c1cc2c(c(CNC3CCNCC3)c1)OCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.49
▸ SLC6A4 P31645 4/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ SLC6A3 Q01959 2/20 0.42
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ GRIN2B Q13224 1/20 0.37
▸ SOS1 Q07889 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HRH1 P35367 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TGM2 P21980 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ CHRM1 P11229 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
SCHEMBL6584188 0.82 MTNR1A (0.50) SLC6A2SLC6A4SLC6A3SOS1KDM1A
SCHEMBL1475516 0.77 SLC6A4 (0.47) SLC6A2SLC6A4KCNH2SLC6A3HTR2A
SCHEMBL6583557 0.76 SLC6A2 (0.41) SLC6A2SLC6A4KCNH2SLC6A3PARP1
SCHEMBL3127041 0.75 HTR2A (0.50) SLC6A2SLC6A4KCNH2SLC6A3HTR2A
SCHEMBL12748450 0.74 KCNH2 (0.45) SLC6A2SLC6A4KCNH2SLC6A3HTR2A
Hydrochloric Acid SCHEMBL1477630 0.73 KCNH2 (0.44) SLC6A2SLC6A4KCNH2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7836912 0.72 TACR1 (0.57) SLC6A3HTR2AHTR2CHRH1
SCHEMBL700880 0.71 MTNR1A (0.56) KDM1AMAOAMAOB
SCHEMBL614437 0.71 HTR1A (0.46) SLC6A2SLC6A4KCNH2SLC6A3HTR2C
SCHEMBL13146592 0.70 HTR2A (0.46) SLC6A2SLC6A4KCNH2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767116-A TREATING PSYCHOSES KNOLL ATKIENGESELLSCHAFT (DE) 1998-06-16 — — US disclosed
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