SCHEMBL6993589

SCHEMBL6993589

N=c1c2c3c(sc2ncn1CCN1CCN(c2ccccc2)CC1)CN(Cc1ccccc1)CC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
LIMK1 P53667 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTR1A P08908 9/20 0.51
ADRA1D P25100 9/20 0.51
HTR1B P28222 9/20 0.51
ADRA1A P35348 9/20 0.51
ADRA1B P35368 9/20 0.51
MKNK1 Q9BUB5 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL6999670 0.89 HTR1A (0.64) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL7719577 0.82 HTR1A (0.60) LMNAHTR1AADRA1DHTR1BADRA1A
SCHEMBL7722319 0.80 HTR1A (0.58) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7720235 0.77 HTR1A (0.78) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6997290 0.76 HTR1A (0.81) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6992079 0.76 HTR1A (0.59) LMNAHTR1AADRA1DHTR1BADRA1A
SCHEMBL7717801 0.74 HTR1A (0.81) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7719545 0.74 HTR1A (0.80) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7719498 0.74 HTR1A (0.56) MAPTHTR1AADRA1DHTR1BADRA1A
SCHEMBL7715005 0.74 HTR1A (0.56) HTR1AADRA1DHTR1BADRA1AADRA1B

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
EP-0927184-B1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2003-10-22 EP disclosed
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6222034-B1 AS SEROTININ RECEPTOR ANTAGONISTS; FOR THERAPY OF DEPRESSION, CENTRAL NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DE) 2001-04-24 US disclosed