SCHEMBL9864006

SCHEMBL9864006

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 5/20 0.43
KCNN4 O15554 2/20 0.40
SLC6A2 P23975 2/20 0.40
OPRM1 P35372 4/20 0.38
OPRL1 P41146 4/20 0.38
OPRK1 P41145 3/20 0.38
KDM1A O60341 2/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
OPRD1 P41143 2/20 0.35
CCR2 P41597 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
SCHEMBL9864271 0.88 SLC6A4 (0.44) SLC6A4SLC6A3KCNN4SLC6A2OPRM1
SCHEMBL9864291 0.86 SLC6A4 (0.43) SLC6A4SLC6A3KCNN4SLC6A2OPRM1
SCHEMBL9863821 0.85 SLC6A4 (0.43) SLC6A4SLC6A3KCNN4SLC6A2OPRM1
Hydrochloric Acid SCHEMBL1521 0.85 SLC6A4 (0.48) SLC6A4SLC6A3KCNN4SLC6A2OPRM1
SCHEMBL9864057 0.76 SLC6A4 (0.43) SLC6A4SLC6A3KCNN4SLC6A2OPRM1
SCHEMBL9864280 0.76 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2OPRK1HTR2A
SCHEMBL9864213 0.75 SLC6A4 (0.47) SLC6A4SLC6A3KCNN4SLC6A2OPRM1
SCHEMBL9864324 0.72 SLC6A4 (0.46) SLC6A4SLC6A3KCNN4SLC6A2OPRM1
SCHEMBL9864425 0.71 SLC6A4 (0.77) SLC6A4SLC6A3SLC6A2
SCHEMBL9863817 0.71 SLC6A4 (0.44) SLC6A4SLC6A3KCNN4SLC6A2OPRM1

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