SCHEMBL8716243

SCHEMBL8716243

COc1ccc(N(CCO)C(C)Cc2ccccc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
SIGMAR1 Q99720 4/20 0.44
MCHR1 Q99705 1/20 0.41
FPR2 P25090 1/20 0.40
SMPD1 P17405 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LDHA P00338 1/20 0.40
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
HCRTR2 O43614 2/20 0.39
HCRTR1 O43613 1/20 0.39
ADRB2 P07550 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 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
SCHEMBL8717324 0.83 ALDH1A1 (0.44) ACHEFPR2ALOX15L3MBTL1KMT2A
SCHEMBL8714022 0.81 SIGMAR1 (0.43) SIGMAR1ALOX15ALOX12KMT2APOLB
SCHEMBL8430263 0.80 SIGMAR1 (0.50) SIGMAR1L3MBTL1ADRA2ACYP2D6TSHR
SCHEMBL8713532 0.80 SIGMAR1 (0.41) ACHESIGMAR1ADRA2ACYP2D6ADRA2B
SCHEMBL8713821 0.79 ALDH1A1 (0.45) ALOX12L3MBTL1KMT2AHTR1AALDH1A1
SCHEMBL8718156 0.77 SIGMAR1 (0.42) SIGMAR1L3MBTL1KMT2AADRA2BADRA2C
SCHEMBL8714181 0.77 SIGMAR1 (0.40) SIGMAR1POLBADRB2ADRA2BADRA2C
SCHEMBL8713645 0.77 SIGMAR1 (0.44) SIGMAR1ADRB2ADRA2ACYP2D6TSHR
SCHEMBL8714206 0.77 SIGMAR1 (0.44) SIGMAR1ADRA2ACYP2D6TSHRADRA2B
SCHEMBL8713719 0.76 MAPT (0.42) ALOX15KMT2ACYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed