SCHEMBL254706

SCHEMBL254706

CC(C)NCCc1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.61
SIGMAR1 Q99720 4/20 0.50
HTR2A P28223 1/20 0.45
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRB2 P07550 2/20 0.42
LMNA P02545 2/20 0.42
HIF1A Q16665 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
CYP2D6 P10635 1/20 0.42
GALR3 O60755 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRA1A P35348 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ADRB3 P13945 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
PYCR1 P32322 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
SCHEMBL13996937 0.81 L3MBTL1 (0.47) TAAR1SIGMAR1HTR2AHTTSMN1; SMN2
SCHEMBL10087662 0.81 ALDH1A1 (0.47) TAAR1SIGMAR1HTTSMN1; SMN2ADRB2
SCHEMBL23695828 0.81 SIGMAR1 (0.49) SIGMAR1HTTSMN1; SMN2ADRB2LMNA
SCHEMBL13532079 0.79 TAAR1 (0.61) TAAR1SIGMAR1HTTSMN1; SMN2ADRB2
SCHEMBL15031576 0.79 LMNA (0.50) TAAR1SIGMAR1HTTSMN1; SMN2ADRB2
SCHEMBL3084431 0.79 TAAR1 (0.61) TAAR1SIGMAR1HTTSMN1; SMN2ADRB2
SCHEMBL9911348 0.79 LMNA (0.64) SIGMAR1HTR2AHTTADRB2LMNA
SCHEMBL255039 0.79 GFER (0.52) SIGMAR1HTTSMN1; SMN2ADRB2LMNA
SCHEMBL20024425 0.79 SIGMAR1 (0.53) SIGMAR1HTTSMN1; SMN2ADRB2LMNA
SCHEMBL2548456 0.78 PYCR1 (0.48) TAAR1SIGMAR1LMNACYP2D6PYCR1

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
CN-112822948-A TAAR receptor agonists for the treatment of alopecia 应用生物学公司 2021-05-18 CN disclosed
WO-2012030986-A2 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS NORTH CAROLINA STATE UNIVERSITY (US) 2012-03-08 WO disclosed