SCHEMBL9864204

SCHEMBL9864204

COCCCC(N)C1(c2ccc(Br)cc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.43
SLC6A3 Q01959 13/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A2 P23975 6/20 0.37
FPR3 P25089 2/20 0.32
FPR2 P25090 2/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL9864169 0.87 SLC6A4 (0.44) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9863885 0.86 SLC6A4 (0.58) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9864001 0.82 SLC6A4 (0.57) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9863984 0.82 SLC6A4 (0.53) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9863690 0.81 SLC6A3 (0.45) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9863742 0.80 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2
SCHEMBL9864086 0.79 SLC6A4 (0.54) SLC6A4SLC6A3CYP3A4SLC6A2
SCHEMBL9864419 0.76 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2
SCHEMBL25312802 0.76 TP53 (0.46) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9864728 0.76 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047432-A Antidepressants THE BOOTS COMPANY PLC (GB) 1991-09-10 US disclosed
US-4925879-A ANTIDEPRESSANTS BOOTS COMPANY, PLC (GB) 1990-05-15 US disclosed
EP-0191542-B1 ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES The Boots Company PLC (GB) 1988-06-08 EP disclosed
EP-0191542-A1 Arylcyclobutylalkyl amines and their use as antidepressive medicines The Boots Company PLC (GB) 1986-08-20 EP disclosed