SCHEMBL7953809

SCHEMBL7953809

COc1ccc(C(=O)N2CC=C(c3c[nH]c4cc(Cl)ccc34)CC2)c2c1CCC2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
LMNA P02545 1/20 0.44
SLC6A4 P31645 2/20 0.43
POLB P06746 1/20 0.40
HTR1D P28221 1/20 0.40
AVPR1A P37288 2/20 0.40
RBP4 P02753 1/20 0.39
NR4A2 P43354 1/20 0.39
HTR1A P08908 1/20 0.38

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
SCHEMBL16801678 0.78 SLC6A4 (0.56) MAPTLMNASLC6A4POLBHTR1D
SCHEMBL28097371 0.77 MAPT (0.54) MAPTLMNASLC6A4POLBHTR1D
SCHEMBL7220992 0.75 MAPT (0.51) MAPTLMNASLC6A4POLBHTR1D
SCHEMBL6383779 0.75 CNR1 (0.57) MAPTLMNASLC6A4POLBHTR1D
SCHEMBL615817 0.73 AVPR1A (0.55) MAPTLMNASLC6A4AVPR1ANR4A2
SCHEMBL615958 0.72 AVPR1A (0.61) MAPTLMNAAVPR1A
SCHEMBL4670751 0.70 SLC6A4 (0.81) LMNASLC6A4POLBHTR1A
SCHEMBL614661 0.70 AVPR1A (0.52) MAPTLMNAAVPR1ANR4A2
SCHEMBL16801734 0.70 SLC6A4 (0.69) MAPTLMNASLC6A4HTR1A
SCHEMBL7219966 0.70 MAPT (0.51) MAPTLMNASLC6A4POLBHTR1D

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
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 2001-07-17 US disclosed