SCHEMBL9856532

SCHEMBL9856532

CNCCC(Cc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
SLC6A2 P23975 5/20 0.58
LMNA P02545 4/20 0.58
CYP2D6 P10635 4/20 0.58
HTR2A P28223 3/20 0.58
HRH1 P35367 3/20 0.58
NPC1 O15118 2/20 0.58
CYP2C19 P33261 2/20 0.58
MTOR P42345 2/20 0.58
RAB9A P51151 2/20 0.58
CYP3A4 P08684 2/20 0.58
HTR2C P28335 2/20 0.58
SLC6A3 Q01959 2/20 0.58
HRH3 Q9Y5N1 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
Hydrochloric Acid SCHEMBL9857132 0.99 SLC6A4 (0.59) SLC6A4MEN1KMT2ASLC6A2LMNA
SCHEMBL9857396 0.94 SLC6A4 (0.54) SLC6A4MEN1KMT2ASLC6A2LMNA
SCHEMBL9857370 0.87 SLC6A9 (0.45) SLC6A4MEN1KMT2ASLC6A2LMNA
SCHEMBL9856914 0.87 HTR2A (0.49) SLC6A4MEN1KMT2ASLC6A2LMNA
SCHEMBL9857406 0.85 CYP2D6 (0.52) SLC6A4MEN1KMT2ASLC6A2LMNA
SCHEMBL8384207 0.85 HTR2A (0.60) SLC6A4MEN1KMT2ASLC6A2LMNA
SCHEMBL9856731 0.84 SLC6A4 (0.55) SLC6A4MEN1KMT2ASLC6A2LMNA
SCHEMBL9857294 0.82 HTR2A (0.53) SLC6A4MEN1KMT2ASLC6A2LMNA
SCHEMBL9857112 0.82 HTR2A (0.53) SLC6A4MEN1KMT2ASLC6A2LMNA
SCHEMBL9856505 0.82 HTR2A (0.53) SLC6A4MEN1KMT2ASLC6A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US claimed
EP-0318233-A2 Improvements in or relating to serotonin and norepinephrine uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP claimed
JP-2000235-A None JP disclosed
EP-4252748-A1 A SPHINGOSINE-1-PHOSPHATE RECEPTOR (S1PR) MODULATOR FOR USE IN TREATING A PATIENT SUFFERING FROM ALZHEIMER'S DEMENTIA Otto-von-Guericke-University Magdeburg (DE) 2023-10-04 EP disclosed
EP-2029566-B1 NOVEL SEROTONIN REUPTAKE INHIBITORS AS DRUGS HAVING PERIPHERAL-SYSTEM-RESTRICTED ACTIVITY UNIV RAMOT (IL) 2011-04-27 EP disclosed
US-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed
JP-H02235-A SEROTONIN AND NOREPINEPHRINE UPTAKE INHIBITOR OF 3,4-DIPHENYLBUTANAMINES ELI LILLY & CO 1990-01-05 JP disclosed
EP-0318233-A2 Improvements in or relating to serotonin and norepinephrine uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed