SCHEMBL7657076

SCHEMBL7657076

N#CC(C#N)=C1N(CCCO)CCN1Cc1cccc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.76
OPRL1 P41146 1/20 0.40
HDAC1 Q13547 1/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ACHE P22303 1/20 0.38
TSHR P16473 1/20 0.38
DPP4 P27487 1/20 0.35

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
SCHEMBL7655208 0.89 HRH3 (0.74) HRH3OPRL1HDAC1ACHETSHR
SCHEMBL7665076 0.87 HRH3 (0.71) HRH3OPRL1HDAC1ACHETSHR
SCHEMBL6734004 0.84 HRH3 (0.67) HRH3OPRL1HDAC1DPP4
SCHEMBL7656135 0.84 HRH3 (0.67) HRH3OPRL1HDAC1TMEM97SIGMAR1
SCHEMBL7654001 0.82 HRH3 (0.64) HRH3OPRL1HDAC1TMEM97SIGMAR1
SCHEMBL7666593 0.76 HRH3 (0.71) HRH3OPRL1ACHETSHR
SCHEMBL7658659 0.75 HRH3 (0.68) HRH3OPRL1TSHR
SCHEMBL7665250 0.75 HRH3 (0.71) HRH3OPRL1ACHE
SCHEMBL7652819 0.75 HRH3 (0.77) HRH3OPRL1HDAC1SIGMAR1ACHE
SCHEMBL7656338 0.74 HRH3 (0.66) HRH3OPRL1

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-6469002-B1 COMPOUNDS WHICH MODULATE CHEMOKINE RECEPTOR ACTIVITY AND ARE USEFUL IN TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. 2002-10-22 US disclosed