SCHEMBL7713770

SCHEMBL7713770

O=C(O)CC(CN1CCCCC1)C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HRH3 Q9Y5N1 1/20 0.50
MAPK1 P28482 2/20 0.48
HTT P42858 1/20 0.46
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
ALOX15 P16050 1/20 0.43
DRD2 P14416 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
SCHEMBL7713777 0.82 HPGD (0.44) MAPTALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL20561446 0.81 KMT2A (0.55) MAPTALDH1A1HTR1AHTR7MEN1
SCHEMBL7719186 0.78 ALDH1A1 (0.42) MAPTALDH1A1HRH3MAPK1SMN1; SMN2
SCHEMBL7713799 0.77 ALDH1A1 (0.56) MAPTALDH1A1HTTHTR1AHTR7
SCHEMBL6862148 0.75 ALDH1A1 (0.58) MAPTALDH1A1HRH3MAPK1HTT
SCHEMBL7718161 0.74 ALDH1A1 (0.60) MAPTALDH1A1HRH3MAPK1HTT
SCHEMBL11193055 0.71 AKR1C3 (0.73) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL12541321 0.70 MAPT (0.47) MAPTALDH1A1HRH3MAPK1HTT
SCHEMBL7718210 0.70 KMT2A (0.50) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL6862144 0.70 POLB (0.47) MAPTALDH1A1MAPK1HTTLMNA

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
US-6384063-B1 Compound having effect of promoting neuron differentiation NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-05-07 US disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP disclosed