SCHEMBL27857403

SCHEMBL27857403

NCc1cccc(N2CCN(C(=O)O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.50
▸ HTR7 P34969 2/20 0.50
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GRM5 P41594 2/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ USP2 O75604 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46

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
SCHEMBL28322328 0.89 AKR1C3 (0.54) HTR1AHTR7ITGB3ITGA2BHTR2A
SCHEMBL14830657 0.88 ITGB3 (0.48) HTR1AHTR7ITGB3ITGA2BHTR2A
SCHEMBL24677569 0.87 MEN1 (0.51) HTR1AHTR7HTR2AHTR6MEN1
SCHEMBL18586080 0.86 GRM5 (0.52) HTR1AHTR7ITGB3ITGA2BHTR2A
SCHEMBL27662780 0.85 AGXT (0.56) ITGB3ITGA2BSMN1; SMN2ALDH1A1MAPT
SCHEMBL110127 0.84 POLB (0.50) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL10282747 0.82 MEN1 (0.53) HTR1AHTR7MEN1KMT2ASMN1; SMN2
SCHEMBL27642212 0.82 LMNA (0.47) HTR1AHTR7ITGB3ITGA2BHTR2A
SCHEMBL4014464 0.81 MAPT (0.49) HTR1AHTR7ITGB3ITGA2BHTR2A
SCHEMBL3119833 0.81 ADRA2C (0.59) HTR1AHTR7HTR2AHTR6MEN1

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-102015668-A Piperazine derivatives and their use as leptin receptor modulators ASTRAZENECA AB PUBL 2011-04-13 — — CN disclosed
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