SCHEMBL9631456

SCHEMBL9631456

CCOC(=O)CC1CCCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.38
PARP14 Q460N5 1/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
NCF1 P14598 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2607204 0.93 NCF1 (0.41) POLBKMT2APARP14ALDH1A1L3MBTL1
SCHEMBL2607044 0.89 SMN1; SMN2 (0.45) SMN1; SMN2POLBTDP1KMT2AALDH1A1
SCHEMBL12617901 0.87 KMT2A (0.41) POLBTDP1KMT2APARP14ALDH1A1
SCHEMBL15800376 0.85 POLB (0.40) SMN1; SMN2POLBKMT2APARP14ALDH1A1
SCHEMBL12881605 0.84 CHRM1 (0.47) SMN1; SMN2POLBTDP1PARP14ALDH1A1
SCHEMBL1881523 0.82 ALDH1A1 (0.46) POLBTDP1KMT2AALDH1A1L3MBTL1
SCHEMBL1439129 0.82 TDP1 (0.48) POLBTDP1KMT2AALDH1A1L3MBTL1
SCHEMBL25311355 0.81 TDP1 (0.50) POLBTDP1KMT2AALDH1A1L3MBTL1
SCHEMBL18797 0.81 TDP1 (0.50) POLBTDP1KMT2AALDH1A1L3MBTL1
SCHEMBL2779505 0.81 TDP1 (0.50) POLBTDP1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079249-A Serotine antagonists at 5-HT2 level, antiallergens, antihistamines ADIR ET COMPAGNIE (FR) 1992-01-07 US disclosed
US-5071847-A BIS (ARYL) ALKENE COMPOUNDS OF HOMOPIPERIDINES USEFUL AS SEROTONIN-ANTAGONISTS ADIR ET COMPAGNIE (FR) 1991-12-10 US disclosed
US-5028607-A Antiserotonine agents ADIR ET COMPAGNIE (FR) 1991-07-02 US disclosed