SCHEMBL6862080

SCHEMBL6862080

CC(CC(C(=O)c1ccccc1)N1CCCCC1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 16/20 0.63
SLC6A2 P23975 14/20 0.63
SLC6A4 P31645 8/20 0.58
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL14068919 0.87 SLC6A3 (0.76) SLC6A3SLC6A2SLC6A4RAB9AALDH1A1
SCHEMBL27513426 0.86 SLC6A2 (0.50) SLC6A3SLC6A2SLC6A4RAB9AALDH1A1
SCHEMBL17645635 0.83 SLC6A3 (0.68) SLC6A3SLC6A2SLC6A4RAB9AHSP90AA1
SCHEMBL11665417 0.82 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4RAB9AALDH1A1
SCHEMBL4939421 0.80 SLC6A3 (0.77) SLC6A3SLC6A2SLC6A4RAB9AHSP90AA1
SCHEMBL9037624 0.80 SLC6A3 (0.68) SLC6A3SLC6A2SLC6A4RAB9AALDH1A1
SCHEMBL27563959 0.79 SLC6A3 (0.66) SLC6A3SLC6A2SLC6A4RAB9AALDH1A1
SCHEMBL4936204 0.78 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL27098438 0.77 SLC6A3 (0.81) SLC6A3SLC6A2SLC6A4
SCHEMBL27098434 0.77 SLC6A3 (0.81) SLC6A3SLC6A2SLC6A4

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-0999204-B1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION NIPPON KAYAKU KK (JP) 2004-10-13 EP disclosed
CN-1268937-A Novel compound having effect of promoting neuron differentiation NIPPON KAYAKU KK (JP) 2000-10-04 CN disclosed