SCHEMBL1729339

SCHEMBL1729339

O=C(O)NC(c1nc2ccccc2[nH]1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
IDO1 P14902 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMYD3 Q9H7B4 2/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
FPR1 P21462 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX12 P18054 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL4705042 0.83 AAK1 (0.54) TSHRKMT2ASMN1; SMN2LMNACYP3A4
SCHEMBL4527540 0.78 SMN1; SMN2 (0.43) TSHRKMT2ASMN1; SMN2LMNAIDO1
SCHEMBL4071612 0.77 SMYD3 (0.60) SMYD3
SCHEMBL19328196 0.77 AAK1 (0.39) TSHRKDM4EL3MBTL1POLB
Hydrochloric Acid SCHEMBL9373554 0.76 IDO1 (0.57) TSHRKMT2ASMN1; SMN2LMNAIDO1
Trifluoroacetic Acid SCHEMBL4527536 0.76 LMNA (0.44) TSHRKMT2ASMN1; SMN2LMNAIDO1
SCHEMBL4490876 0.76 ALDH1A1 (0.51) TSHRKMT2ASMN1; SMN2LMNAIDO1
SCHEMBL2937870 0.74 TSHR (0.63) TSHRKMT2ASMN1; SMN2LMNAIDO1
SCHEMBL38664210 0.74 AAK1 (0.61) TSHRSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL22684362 0.71 PARP1 (0.46) SMN1; SMN2LMNA

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed