SCHEMBL16701324

SCHEMBL16701324

CC1CCN(c2cc(-c3ccc(O)cc3)nc(N)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.56
▸ HTR3A P46098 1/20 0.53
▸ USP2 O75604 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ HTR1D P28221 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ PDPK1 O15530 1/20 0.44

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
SCHEMBL16701393 0.84 HRH4 (0.53) HRH4HTR3AUSP2LMNATSHR
SCHEMBL606543 0.78 HRH3 (0.58) HRH4HTR3AHRH3
SCHEMBL2166164 0.73 HRH4 (0.70) HRH4LMNAHRH3
SCHEMBL16701665 0.73 LMNA (0.63) HRH4LMNAHTTHRH3
SCHEMBL605990 0.73 HRH4 (0.71) HRH4HRH3
SCHEMBL10567412 0.72 HRH4 (0.85) HRH4HTR3AUSP2LMNATSHR
SCHEMBL6644809 0.72 CDK1 (0.65) HRH4HTR3AHRH3HTR1AADRA2A
SCHEMBL2166821 0.71 HRH4 (0.82) HRH4HTR3AHRH3HTR1AADRA2A
SCHEMBL2166566 0.70 HRH4 (0.94) HRH4HTR3AUSP2LMNATSHR
SCHEMBL2167116 0.70 HRH4 (0.80) HRH4HTR3AHRH3HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015069752-A9 ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-09 — — WO disclosed
WO-2015069752-A9 ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-09 — — WO disclosed
WO-2015069752-A1 ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-14 — — WO disclosed
WO-2015069752-A1 ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-14 — — WO disclosed
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