SCHEMBL8208376

SCHEMBL8208376

c1nc2n(n1)CCc1ccsc1C2=C1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.37
HRH4 Q9H3N8 5/20 0.37
HTR2C P28335 3/20 0.33
PNMT P11086 1/20 0.33
JAK2 O60674 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL8207791 0.86 DRD1 (0.39) HRH1HRH4HTR2CLMNAHTT
SCHEMBL8208107 0.81 HRH1 (0.40) HRH1HRH4HTR2CLMNA
SCHEMBL7138901 0.80 HRH1 (0.54) HRH1HRH4HTR2CPNMTJAK2
SCHEMBL8207652 0.78 HRH1 (0.45) HRH1LMNANOS3NOS2
SCHEMBL8200919 0.77 CYP1A2 (0.33) JAK2
SCHEMBL8211235 0.74 HTR5A (0.46) HRH1LMNAHTT
SCHEMBL7141253 0.73 PTAFR (0.38) HRH1HRH4HTR2CLMNA
SCHEMBL7138938 0.73 HRH1 (0.42) HRH1HRH4HTR2CPNMTLMNA
Oxalic Acid SCHEMBL9280234 0.70 SIGMAR1 (0.40) LMNAHTT
SCHEMBL8207088 0.69 HRH1 (0.69) HRH1

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-0675889-B1 ANTIALLERGIC TRIAZOLO(PYRROLO, THIENO OR FURANO)AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2000-07-05 EP disclosed
US-5595988-A Triazolo(pyrrolo, thieno or furano)azepine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1997-01-21 US disclosed