SCHEMBL7810040

SCHEMBL7810040

C=C(C)C1CN(Cc2ccccc2)CCN1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
F2 P00734 1/20 0.43
FUCA1 P04066 2/20 0.43
ACHE P22303 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
MC4R P32245 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
BCHE P06276 1/20 0.40
BACE1 P56817 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
SCHEMBL3815944 0.82 GRIN2D (0.56) SIGMAR1LTA4HALDH1A1CYP1A2CYP2C19
SCHEMBL3815948 0.82 GRIN2D (0.56) SIGMAR1LTA4HALDH1A1CYP1A2CYP2C19
SCHEMBL27780998 0.82 SIGMAR1 (0.51) SIGMAR1LTA4HALDH1A1KMT2AF2
SCHEMBL16714074 0.82 GRIN2D (0.56) SIGMAR1LTA4HALDH1A1CYP1A2CYP2C19
SCHEMBL7808456 0.80 SIGMAR1 (0.49) SIGMAR1LTA4HALDH1A1KMT2AF2
SCHEMBL15148260 0.80 F2 (0.48) SIGMAR1LTA4HALDH1A1MEN1KMT2A
SCHEMBL10684577 0.80 SIGMAR1 (0.49) SIGMAR1LTA4HALDH1A1MEN1KMT2A
SCHEMBL8563102 0.80 F2 (0.48) SIGMAR1LTA4HALDH1A1MEN1KMT2A
SCHEMBL3494724 0.80 F2 (0.52) SIGMAR1LTA4HALDH1A1MEN1KMT2A
SCHEMBL1307820 0.79 SIGMAR1 (0.58) SIGMAR1LTA4HALDH1A1FUCA1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727421-B1 Agents for improving sleep JANSSEN PHARMACEUTICA NV (BE) 2001-10-24 EP disclosed
EP-0727421-A1 Agents for improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-21 EP disclosed
US-5026853-A Sleep and cardiovascular disorders JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-25 US disclosed
US-4968684-A N-ARYL-PIPERAZINEALKANAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-06 US disclosed
US-4880808-A SEDATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-14 US disclosed
EP-0285219-A2 Method of improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1988-10-05 EP disclosed