SCHEMBL5745895

SCHEMBL5745895

c1ccc2c(c1)-c1ccccc1C2OCCN1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5746120 0.98 HRH3 (0.54) HRH3KDM4ESMN1; SMN2LTA4HTDP1
SCHEMBL5745867 0.90 ALDH1A1 (0.50) HRH3KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL5749058 0.89 ALDH1A1 (0.51) HRH3KDM4EALDH1A1HTTL3MBTL1
SCHEMBL5747294 0.87 ALDH1A1 (0.47) HRH3KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL28956550 0.71 CHRNB4 (0.48)
SCHEMBL5749933 0.71 HTR2A (0.48) KDM4ELTA4HTDP1TSHRHTR3E
SCHEMBL27418159 0.71 RET (0.41) HRH3TSHRALDH1A1
SCHEMBL5746581 0.70 HRH3 (0.61) HRH3KDM4ESMN1; SMN2TDP1TSHR
SCHEMBL11669945 0.70 FLT3 (0.44) HRH3KDM4ESMN1; SMN2HTR3EHTR3B
SCHEMBL28397007 0.69 HTR2A (0.47) HRH3TSHR

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
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP claimed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO claimed
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO disclosed