SCHEMBL11640416

SCHEMBL11640416

CN(C)CCCNC(=O)C1(c2ccccc2)CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
HTT P42858 2/20 0.68
CHRM2 P08172 1/20 0.59
POLB P06746 1/20 0.58
LMNA P02545 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HDAC4 P56524 2/20 0.55
OPRL1 P41146 1/20 0.53
ERCC1 P07992 1/20 0.52
ERCC4 Q92889 1/20 0.52
TSHR P16473 1/20 0.51
AVPR1A P37288 1/20 0.48
AKR1C1 Q04828 1/20 0.46
P2RX7 Q99572 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL11641987 0.99 SMN1; SMN2 (0.70) SMN1; SMN2HTTCHRM2POLBLMNA
SCHEMBL11642501 0.92 SMN1; SMN2 (0.68) SMN1; SMN2HTTCHRM2POLBLMNA
SCHEMBL11640467 0.91 HTT (0.69) SMN1; SMN2HTTCHRM2POLBLMNA
SCHEMBL14491525 0.81 SMN1; SMN2 (0.68) SMN1; SMN2HTTCHRM2LMNANPSR1
SCHEMBL9828039 0.81 SMN1; SMN2 (0.68) SMN1; SMN2HTTCHRM2LMNANPSR1
SCHEMBL9829676 0.81 HTT (0.71) SMN1; SMN2HTTCHRM2LMNANPSR1
SCHEMBL13067102 0.80 SMN1; SMN2 (0.66) SMN1; SMN2HTTCHRM2LMNANPSR1
SCHEMBL14067363 0.79 SMN1; SMN2 (0.68) SMN1; SMN2HTTCHRM2LMNANPSR1
SCHEMBL19242797 0.78 HTT (0.68) SMN1; SMN2HTTCHRM2LMNANPSR1
SCHEMBL19242796 0.78 HTT (0.68) SMN1; SMN2HTTCHRM2LMNANPSR1

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-4117144-A ANTIDEPRESSANTS AB KABI (SE) 1978-09-26 US disclosed
US-3947451-A TREATMENT OF PSYCHIATRIC AND PSYCHOSOMATIC DISEASES AB KABI (SW) 1976-03-30 US disclosed