SCHEMBL6932177

SCHEMBL6932177

C=C(Cc1ccccc1)N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
SLC6A4 P31645 4/20 0.44
SLC6A2 P23975 3/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.43
HSD11B1 P28845 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SLC6A3 Q01959 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HTR1A P08908 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
SCHEMBL27918650 0.93 SIGMAR1 (0.46) SIGMAR1L3MBTL1SLC6A4SLC6A2POLB
SCHEMBL92506 0.81 L3MBTL1 (0.63) SIGMAR1L3MBTL1POLBHSD11B1ALDH1A1
SCHEMBL6934617 0.80 SLC6A4 (0.49) SIGMAR1SLC6A4SLC6A2KMT2AHTR3E
SCHEMBL6933017 0.80 POLB (0.56) POLBKMT2AADRB1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL14110120 0.80 SIGMAR1 (0.49) SIGMAR1L3MBTL1POLBKMT2AHSD11B1
Hydrochloric Acid SCHEMBL14110124 0.80 SIGMAR1 (0.49) SIGMAR1L3MBTL1POLBKMT2AHSD11B1
SCHEMBL11083860 0.80 FAAH (0.54) SIGMAR1L3MBTL1SLC6A4SLC6A2POLB
SCHEMBL9090627 0.80 L3MBTL1 (0.61) SIGMAR1L3MBTL1POLBHSD11B1ALDH1A1
Hydrochloric Acid SCHEMBL20337874 0.80 L3MBTL1 (0.61) SIGMAR1L3MBTL1POLBKMT2AHSD11B1
SCHEMBL2431448 0.80 SIGMAR1 (0.50) SIGMAR1L3MBTL1SLC6A4SLC6A2POLB

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-1366030-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS Neurogen Corporation (US) 2003-12-03 EP claimed
WO-2002004433-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-17 WO claimed