SCHEMBL9864288

SCHEMBL9864288

CCC(=O)C(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.47
SLC6A3 Q01959 2/20 0.47
SLC6A2 P23975 2/20 0.47
CCR2 P41597 2/20 0.43
OPRM1 P35372 6/20 0.42
OPRL1 P41146 5/20 0.42
KCNN4 O15554 2/20 0.40
KDM1A O60341 2/20 0.39
OPRK1 P41145 2/20 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
SCHEMBL9864273 0.91 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2CCR2OPRM1
SCHEMBL9864332 0.81 CASR (0.44) OPRM1OPRL1
SCHEMBL9864359 0.78 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2CCR2OPRM1
SCHEMBL9118387 0.77 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2CCR2OPRM1
SCHEMBL9863999 0.77 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL9863909 0.76 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2CCR2OPRM1
SCHEMBL9864123 0.76 SLC6A3 (0.57) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL9864247 0.75 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2CCR2OPRM1
SCHEMBL9864171 0.74 SLC6A2 (0.46) SLC6A4SLC6A3SLC6A2OPRM1OPRK1
SCHEMBL9863806 0.74 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2OPRK1

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