SCHEMBL10401740

SCHEMBL10401740

CN(C)CCNC(=O)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.56
POLB P06746 1/20 0.55
KMT2A Q03164 4/20 0.53
TSHR P16473 4/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PANK3 Q9H999 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX15 P16050 1/20 0.51
GAA P10253 2/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
Hydrochloric Acid SCHEMBL10401852 0.99 CHRM4 (0.55) CHRM4POLBKMT2ATSHRMEN1
Hydrochloric Acid SCHEMBL10401468 0.98 CHRM4 (0.54) CHRM4POLBKMT2ATSHRMEN1
SCHEMBL10401767 0.86 SMN1; SMN2 (0.54) MAPTSMN1; SMN2L3MBTL1GAAALDH1A1
SCHEMBL10401428 0.83 NPC1 (0.62) TSHRMAPTLMNAL3MBTL1GAA
SCHEMBL10401826 0.82 DRD2 (0.62) POLBKMT2AMEN1MAPTLMNA
SCHEMBL10401582 0.80 TP53 (0.60) CHRM4POLBKMT2AMEN1MAPT
SCHEMBL10402030 0.78 MEN1 (0.49) CHRM4POLBKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL10401899 0.77 MEN1 (0.48) CHRM4POLBKMT2AMEN1MAPT
SCHEMBL10402174 0.77 NAMPT (0.60) TSHRMAPTPANK3CYP2C9KDM4E
SCHEMBL10401922 0.75 MAPT (0.51) POLBKMT2AMEN1MAPTLMNA

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
US-4960776-A ANTIALLERGENS A. H. ROBINS COMPANY, INC. (US) 1990-10-02 US claimed
EP-0277725-A2 4-Aryl-N-[2-(dialkylamino and heterocyclicamino) alkyl]-1-piperazinecarboxamides and their use as anti allergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-08-10 EP claimed