SCHEMBL5746664

SCHEMBL5746664

CCN(CC)CCOn1c2ccccc2c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
SLC6A2 P23975 1/20 0.43
HRH1 P35367 1/20 0.43
TSHR P16473 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.41
SMARCA2 P51531 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
LTA4H P09960 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5770644 0.90 SLC6A4 (0.48) SLC6A4SLC6A2HRH1TSHRNPY1R
SCHEMBL5748287 0.88 SLC6A2 (0.42) SLC6A2TSHRNPY1RNPY2RMAPT
SCHEMBL5746059 0.82 HTR1B (0.45) SLC6A4SLC6A2HRH1TSHRSMN1; SMN2
SCHEMBL28824473 0.80 GPR3 (0.43) SLC6A2TSHRMAPTPOLBKDM4E
SCHEMBL5745083 0.79 RAB9A (0.44) SLC6A4SLC6A2HRH1TSHRGAA
SCHEMBL5770349 0.76 HTR1B (0.49) SLC6A4SLC6A2HRH1SMN1; SMN2POLB
SCHEMBL27772278 0.75 LMNA (0.50) TSHRMAPTSMN1; SMN2POLBGAA
SCHEMBL2334457 0.73 POLB (0.63) SLC6A4SLC6A2HRH1TSHRNPY1R
SCHEMBL5745721 0.72 HTR1B (0.47) TSHRMAPTKDM4ECYP1A2CYP2C19
SCHEMBL5747322 0.71 HTR1B (0.45) SLC6A4HRH1KDM4ECYP1A2CYP2C19

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