SCHEMBL6298329

SCHEMBL6298329

CC=C1CN(Cc2ccccc2)CCN1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
MC4R P32245 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
ACHE P22303 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP2D6 P10635 2/20 0.42
DRD4 P21917 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL13909610 0.78 SIGMAR1 (0.59) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL220097 0.77 SIGMAR1 (0.62) SIGMAR1MC4RACHEALDH1A1TDP1
SCHEMBL31332341 0.74 SIGMAR1 (0.54) SIGMAR1MC4RACHEALDH1A1TDP1
SCHEMBL27713375 0.73 SIGMAR1 (0.53) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL6138636 0.71 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL10472337 0.71 SIGMAR1 (0.77) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL152631 0.71 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL276363 0.71 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL83548 0.71 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBALDH1A1
Benzene SCHEMBL27761330 0.71 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBALDH1A1

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
US-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 US disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 EP disclosed