SCHEMBL5160139

SCHEMBL5160139

CN1CCN(c2ccccc2C=C2CN(c3ccc(C(F)(F)F)cc3)CCS2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SRPK1 Q96SB4 1/20 0.37
ADRA2C P18825 2/20 0.36
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR6 P50406 1/20 0.36
KCNH2 Q12809 2/20 0.36
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL6055703 0.91 MEN1 (0.39) MEN1KMT2ASRPK1ADRA2CHTR1A
SCHEMBL6055705 0.91 MEN1 (0.39) MEN1KMT2ASRPK1ADRA2CHTR1A
SCHEMBL8558213 0.81 MAPT (0.40) MEN1KMT2AADRA2CSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL27476474 0.80 KMT2A (0.41) MEN1KMT2AADRA2CHTR1AHTR2A
SCHEMBL5158294 0.78 HTR1A (0.49) MEN1KMT2ASRPK1ADRA2CHTR1A
SCHEMBL5158286 0.78 HTR1A (0.49) MEN1KMT2ASRPK1ADRA2CHTR1A
SCHEMBL5606196 0.78 SLC6A2 (0.38) MEN1KMT2AADRA2CSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6297750 0.77 HTR1A (0.48) MEN1KMT2ASRPK1ADRA2CHTR1A
Hydrochloric Acid SCHEMBL6297749 0.77 HTR1A (0.48) MEN1KMT2ASRPK1ADRA2CHTR1A
SCHEMBL5606399 0.73 CFTR (0.48) MEN1KMT2ASLC6A2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753460-A2 COMBINATION OF ATYPICAL ANTIPSYCHOTICS AND 5-HT1B RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2007-02-21 EP claimed
EP-1737466-A1 COMBINATION OF y-AMINOBUTYRIC ACID MODULATORS AND 5-HT-1b RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2007-01-03 EP claimed
EP-1703918-A2 COMBINATION OF CRF ANTAGONISTS AND 5-HT 1B RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2006-09-27 EP claimed
WO-2005107808-A2 COMBINATION OF ATYPICAL ANTIPSYCHOTICS AND 5-HT1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-17 WO claimed
WO-2005082372-A1 COMBINATION OF γ-AMINOBUTYRIC ACID MODULATORS AND 5-HT 1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-09-09 WO claimed
WO-2005067973-A2 COMBINATION OF CRF ANTAGONISTS AND 5-HT 1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-07-28 WO claimed
EP-1703918-A2 COMBINATION OF CRF ANTAGONISTS AND 5-HT 1B RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2006-09-27 EP disclosed
WO-2005067973-A2 COMBINATION OF CRF ANTAGONISTS AND 5-HT 1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-07-28 WO disclosed
WO-2005053701-A1 COMBINATION OF DOPAMINE AGONISTS AND ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER PRODUCTS INC. (US) 2005-06-16 WO disclosed