SCHEMBL30498596

SCHEMBL30498596

NCCCc1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
TAAR1 Q96RJ0 8/20 0.43
MAOA P21397 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HTR2A P28223 2/20 0.39
TLR8 Q9NR97 1/20 0.38
MPO P05164 1/20 0.38
SLC6A4 P31645 1/20 0.38
FDPS P14324 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CYP2A6 P11509 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL5928190 1.00 SIGMAR1 (0.43) SIGMAR1TAAR1MAOASMN1; SMN2CYP3A4
SCHEMBL2328308 0.93 MAOA (0.52) SIGMAR1TAAR1MAOASMN1; SMN2CYP3A4
SCHEMBL23159894 0.87 ALOX15 (0.47) SIGMAR1TAAR1SMN1; SMN2CYP3A4ALOX15
SCHEMBL23159850 0.87 ALOX15 (0.47) SIGMAR1TAAR1MAOASMN1; SMN2CYP3A4
SCHEMBL30929931 0.85 SIGMAR1 (0.46) SIGMAR1TAAR1SMN1; SMN2CYP3A4ALOX15
SCHEMBL23159817 0.85 SIGMAR1 (0.46) SIGMAR1TAAR1MAOASMN1; SMN2CYP3A4
SCHEMBL341815 0.85 TAAR1 (0.58) SIGMAR1TAAR1SMN1; SMN2CYP3A4ALOX15
SCHEMBL6004011 0.85 SIGMAR1 (0.46) SIGMAR1TAAR1SMN1; SMN2CYP3A4ALOX15
SCHEMBL3678681 0.85 TAAR1 (0.50) TAAR1MAOASMN1; SMN2HTR2AMPO
SCHEMBL29943451 0.85 TAAR1 (0.50) TAAR1MAOASMN1; SMN2HTR2AMPO

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-116422109-A Self-extraction layered carbon dioxide trapping system and method 嘉兴市碳捕手科技有限责任公司 2023-07-14 CN claimed
CN-220194438-U Carbon dioxide trapping system with self-extraction layering function 嘉兴市碳捕手科技有限责任公司 2023-12-19 CN disclosed
CN-116422109-A Self-extraction layered carbon dioxide trapping system and method 嘉兴市碳捕手科技有限责任公司 2023-07-14 CN disclosed