SCHEMBL10608978

SCHEMBL10608978

CC1CN(C(=O)COc2cc(-c3ccccc3)nc3ccccc23)CC(C)O1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.60
POLB P06746 2/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.46
ACP1 P24666 1/20 0.46
ACACA Q13085 2/20 0.46
TP53 P04637 1/20 0.45
FKBP1A P62942 1/20 0.44

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
SCHEMBL10609661 0.83 MEN1 (0.61) TDP1SMN1; SMN2TSHRHPGDKDM4E
SCHEMBL10612832 0.82 ACP1 (0.60) TDP1POLBHPGDKDM4EALDH1A1
SCHEMBL10610688 0.82 ALDH1A1 (0.61) TDP1POLBSMN1; SMN2TSHRHPGD
SCHEMBL10613513 0.81 ACP1 (0.61) TDP1POLBHPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL10613447 0.81 HPGD (0.56) TDP1POLBSMN1; SMN2TSHRHPGD
SCHEMBL10608957 0.81 ACP1 (0.50) TDP1POLBSMN1; SMN2TSHRHPGD
Hydrochloric Acid SCHEMBL10612258 0.81 ACP1 (0.60) TDP1POLBHPGDKDM4EALDH1A1
SCHEMBL10610813 0.80 HPGD (0.49) TDP1POLBSMN1; SMN2HPGDKDM4E
Hydrochloric Acid SCHEMBL10608889 0.80 ACP1 (0.49) TDP1POLBSMN1; SMN2TSHRHPGD
SCHEMBL10612321 0.80 ACP1 (0.51) TDP1SMN1; SMN2TSHRHPGDKDM4E

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-4728647-A Amides derived from quinoline, and anxiolytic compositions containing them RHONE-POULENC SANTE (FR) 1988-03-01 US disclosed