SCHEMBL29104105

SCHEMBL29104105

N#CCCN1CCN(c2ccc(Br)cc2)C[C@@H]1CCl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ AKR1C3 P42330 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ FPR2 P25090 1/20 0.30

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
SCHEMBL29104107 1.00 SLC6A2 (0.33) SLC6A2SLC6A4KDM4EMAPTADRA1D
SCHEMBL29104065 0.87 SLC6A2 (0.33) SLC6A2SLC6A4KDM4EMAPTAKR1C3
SCHEMBL29104061 0.87 SLC6A2 (0.33) SLC6A2SLC6A4KDM4EMAPTAKR1C3
SCHEMBL24504308 0.73 ALDH1A1 (0.53) SLC6A2SLC6A4MAPTADRA1DADRA1A
SCHEMBL29104041 0.69 IGF1R (0.34) MAPTAKR1C3FPR2
SCHEMBL29104038 0.69 IGF1R (0.34) MAPTAKR1C3FPR2
SCHEMBL29104044 0.68 AKR1C3 (0.39) SLC6A2SLC6A4MAPTAKR1C3ALDH1A1
SCHEMBL29104070 0.67 MAPT (0.38) SLC6A2SLC6A4MAPTAKR1C3ALDH1A1
SCHEMBL29104074 0.67 MAPT (0.38) SLC6A2SLC6A4MAPTAKR1C3ALDH1A1
SCHEMBL6373239 0.64 CCR5 (0.42) KDM4EMAPTALDH1A1

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
CN-117003755-A Pyrazolopyridazinone derivatives, compositions and uses thereof 北京伯汇生物技术有限公司 2023-11-07 — — CN disclosed
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