SCHEMBL9864359

SCHEMBL9864359

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.48
SLC6A3 Q01959 2/20 0.48
SLC6A2 P23975 2/20 0.48
OPRL1 P41146 9/20 0.41
OPRM1 P35372 7/20 0.41
KCNN4 O15554 2/20 0.41
KDM1A O60341 2/20 0.40
CCR2 P41597 1/20 0.39
OPRK1 P41145 3/20 0.38
OPRD1 P41143 2/20 0.37

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
SCHEMBL9863909 0.91 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2OPRL1OPRM1
Hydrochloric Acid SCHEMBL9864247 0.90 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2OPRL1OPRM1
SCHEMBL9864129 0.80 CASR (0.41) SLC6A4SLC6A3SLC6A2OPRL1OPRM1
SCHEMBL9118387 0.78 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2OPRL1OPRM1
SCHEMBL10637961 0.78 OPRM1 (0.36) SLC6A4SLC6A3SLC6A2OPRL1OPRM1
SCHEMBL9864288 0.78 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2OPRL1OPRM1
SCHEMBL9864152 0.77 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2
SCHEMBL9864273 0.76 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2OPRL1OPRM1
SCHEMBL9864344 0.74 SLC6A3 (0.40) SLC6A4SLC6A3SLC6A2OPRL1OPRM1
SCHEMBL9864262 0.73 SLC6A4 (0.55) 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 3 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-A1 Arylcyclobutylalkyl amines and their use as antidepressive medicines The Boots Company PLC (GB) 1986-08-20 EP disclosed