SCHEMBL2574804

SCHEMBL2574804

CC[C@@H]1NC[C@H]2CN(C)CCN2c2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
HTR2C P28335 7/20 0.34
HTR2A P28223 6/20 0.34
HTR2B P41595 5/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DPP4 P27487 1/20 0.31

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
SCHEMBL5917470 0.70 POLB (0.49) POLBHTR2CHTR2AHTR2BDRD2
SCHEMBL692320 0.69 DRD2 (0.41) POLBHTR2CHTR2AHTR2BDRD2
SCHEMBL2017462 0.67 HTR2A (0.39) POLBHTR2CHTR2AHTR2BDRD2
SCHEMBL2018737 0.65 SOS1 (0.41) POLBHTR2CHTR2AHTR2BDRD2
SCHEMBL693038 0.65 POLB (0.40) POLBHTR2CHTR2AHTR2BDRD2
SCHEMBL2558862 0.63 HTR2C (0.45) POLBHTR2CHTR2AHTR2BDRD2
SCHEMBL692247 0.63 HTR2C (0.45) POLBHTR2CHTR2AHTR2BDRD2
SCHEMBL11464265 0.63 HTR2C (0.52) HTR2CHTR2AHTR2BDRD2DRD4
SCHEMBL11829920 0.63 HTR2C (0.47) POLBHTR2CHTR2AHTR2BDRD2
SCHEMBL14714357 0.63 POLB (0.35) POLBHTR2CHTR2AHTR2BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560973-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbvie Inc. (US) 2013-02-27 EP claimed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO claimed