SCHEMBL9864324

SCHEMBL9864324

COCCCC(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.46
SLC6A3 Q01959 5/20 0.46
SLC6A2 P23975 3/20 0.46
KCNN4 O15554 2/20 0.39
OPRM1 P35372 3/20 0.38
OPRL1 P41146 3/20 0.38
KDM1A O60341 2/20 0.38
OPRD1 P41143 1/20 0.35
CCR2 P41597 1/20 0.35
TACR1 P25103 1/20 0.35
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2A P28223 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9863817 0.89 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2KCNN4OPRM1
SCHEMBL9863821 0.88 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2KCNN4OPRM1
SCHEMBL9864271 0.84 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2KCNN4OPRM1
SCHEMBL9863739 0.83 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2KCNN4OPRM1
SCHEMBL9864378 0.77 SLC6A3 (0.62) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL9118387 0.76 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2KCNN4OPRM1
SCHEMBL9863690 0.75 SLC6A3 (0.45) SLC6A4SLC6A3SLC6A2OPRM1OPRD1
SCHEMBL9864291 0.73 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2KCNN4OPRM1
SCHEMBL9864497 0.73 SLC6A4 (0.33) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL9864340 0.73 SLC6A3 (0.59) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A

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