SCHEMBL5308339

SCHEMBL5308339

Cc1ccc(C(C)(N)Cc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
KIF11 P52732 7/20 0.53
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
CYP2D6 P10635 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2C19 P33261 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL11178969 0.90 TSHR (0.46) SLC6A2TAAR1KIF11TSHRCYP1A2
SCHEMBL855070 0.88 TAAR1 (0.64) SLC6A2TAAR1KIF11LMNACYP2D6
Fumaric Acid SCHEMBL8866470 0.87 SLC6A2 (0.47) SLC6A2TAAR1KIF11LMNASMN1; SMN2
Maleic Acid SCHEMBL8866450 0.87 SLC6A2 (0.47) SLC6A2TAAR1KIF11LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7266792 0.86 TAAR1 (0.61) SLC6A2TAAR1KIF11LMNACYP2D6
SCHEMBL5305664 0.83 SLC6A2 (0.55) SLC6A2TAAR1KIF11MEN1KMT2A
SCHEMBL8865764 0.83 SLC6A2 (0.53) SLC6A2TAAR1KIF11LMNATSHR
Hydrochloric Acid SCHEMBL8866021 0.81 SLC6A2 (0.52) SLC6A2TAAR1KIF11LMNATSHR
SCHEMBL8976239 0.81 ESR1 (0.56) SLC6A2TAAR1KIF11MEN1KMT2A
SCHEMBL5305755 0.80 LTA4H (0.52) SLC6A2TAAR1KIF11HTT

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
WO-2007017652-A2 ARYLAKYLAMINES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-02-15 WO claimed
US-5539120-A Arylalkyl-amines having anticonvulsant and neuroprotective properties AGENCE SPATIALE EUROPEENNE (FR) 1996-07-23 US claimed
EP-0356035-B1 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1996-03-13 EP claimed
WO-1991011995-A1 ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1991-08-22 WO claimed
EP-0356035-A2 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1990-02-28 EP claimed
WO-2007017652-A2 ARYLAKYLAMINES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-02-15 WO disclosed