SCHEMBL16701393

SCHEMBL16701393

CC1CCN(c2cc(-c3ccc(C(F)(F)F)cc3)nc(N)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 9/20 0.53
▸ HSD17B10 Q99714 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ USP2 O75604 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ HTR1D P28221 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KCNH2 Q12809 1/20 0.45

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
SCHEMBL16701324 0.84 HRH4 (0.56) HRH4HSD17B10HTR3AUSP2LMNA
SCHEMBL16711121 0.82 PDPK1 (0.58) HRH4HSD17B10MAPK1HTR3AUSP2
SCHEMBL16711108 0.82 HRH4 (0.67) HRH4HSD17B10HTR3AUSP2LMNA
SCHEMBL16701432 0.80 HRH4 (0.52) HRH4HSD17B10HTR3AUSP2LMNA
SCHEMBL16711109 0.77 HRH4 (0.52) HRH4HSD17B10HTR3AUSP2LMNA
SCHEMBL16711107 0.76 HRH4 (0.48) HRH4HTR3AHRH3HTR1AADRA2A
SCHEMBL2166164 0.73 HRH4 (0.70) HRH4LMNAHRH3
SCHEMBL603269 0.72 HRH4 (0.69) HRH4HTR3AHRH3HTR1AADRA2A
SCHEMBL16701400 0.72 DHFR (0.47) HRH4KCNH2
SCHEMBL605990 0.70 HRH4 (0.71) HRH4HRH3

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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