SCHEMBL9852761

SCHEMBL9852761

C[C@@H]([C]=O)N(C(=O)N1CCCC1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
ALDH1A1 P00352 2/20 0.40
HSD11B1 P28845 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
AKR1C3 P42330 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
DPP7 Q9UHL4 3/20 0.38
POLB P06746 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
MAPT P10636 1/20 0.38
CTDSP1 Q9GZU7 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
SCHEMBL9852739 0.88 PHGDH (0.48) ALDH1A1SMN1; SMN2HPGDAKR1C3HTT
SCHEMBL2638479 0.79 LMNA (0.39) ALDH1A1LMNAKMT2APOLB
SCHEMBL10725098 0.67 ALDH1A1 (0.42) ALDH1A1HPGDRAB9AKMT2APOLB
SCHEMBL22828312 0.66 ALDH1A1 (0.54) CHRNA7ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6762420 0.64 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDLMNAHTT
SCHEMBL11336822 0.63 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNARAB9AKMT2A
SCHEMBL23417770 0.63 HPGD (0.51) ALDH1A1HPGDRAB9AKMT2AMAPT
SCHEMBL4130406 0.62 ALDH1A1 (0.46) ALDH1A1HSD11B1HPGDLMNAKMT2A
SCHEMBL31387921 0.62 HPGD (0.76) CHRNA7ALDH1A1HPGDLMNAAKR1C3
SCHEMBL23721664 0.62 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed