SCHEMBL16745554

SCHEMBL16745554

c1ccc2c(c1)CN(C1CCCCC1)C2

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.54
KCNH2 Q12809 2/20 0.54
SLC18A3 Q16572 2/20 0.50
OPRM1 P35372 3/20 0.46
OPRK1 P41145 3/20 0.46
OPRL1 P41146 2/20 0.46
SIGMAR1 Q99720 3/20 0.45
NAMPT P43490 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL11265606 0.88 HRH3 (0.53) HRH3KCNH2SLC18A3
SCHEMBL27781945 0.86 SLC18A3 (0.65) HRH3KCNH2SLC18A3OPRM1OPRK1
SCHEMBL10263767 0.84 SLC18A3 (0.67) HRH3KCNH2SLC18A3
SCHEMBL19810796 0.81 SLC18A3 (0.54) HRH3KCNH2SLC18A3SIGMAR1
SCHEMBL6306131 0.79 KCNH2 (0.42) HRH3KCNH2SLC18A3OPRM1OPRK1
SCHEMBL7985474 0.78 HTR2C (0.50) HRH3KCNH2SLC18A3SIGMAR1NAMPT
SCHEMBL13450548 0.78 HRH3 (0.46) HRH3KCNH2SLC18A3
SCHEMBL30574684 0.78 PRMT5 (0.44) HRH3KCNH2SLC18A3OPRL1NAMPT
SCHEMBL7620051 0.78 SIGMAR1 (0.51) HRH3KCNH2SLC18A3SIGMAR1
SCHEMBL31227444 0.77 PARP1 (0.45) HRH3KCNH2SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122037111-A Degradable copolymer, preparation method thereof, degradation method and application 中国科学院长春应用化学研究所 2026-05-15 CN disclosed
EP-1640361-B9 ASYMMETRIC UREA COMPOUNDS AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUNDS BY ASYMMETRIC CONJUGATE ADDITION REACTION USING THE SAME AS CATALYST SUMITOMO CHEMICAL CO (JP) 2015-11-04 EP disclosed
EP-1640361-B1 ASYMMETRIC UREA COMPOUNDS AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUNDS BY ASYMMETRIC CONJUGATE ADDITION REACTION USING THE SAME AS CATALYST SUMITOMO CHEMICAL CO (JP) 2015-05-27 EP disclosed