SCHEMBL8935401

SCHEMBL8935401

CC(N)C(=O)NCc1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.57
PRMT6 Q96LA8 4/20 0.57
FFAR1 O14842 2/20 0.56
LMNA P02545 1/20 0.54
LTA4H P09960 2/20 0.52
ALDH1A1 P00352 1/20 0.52
S1PR1 P21453 1/20 0.52
S1PR3 Q99500 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 2/20 0.50
RECQL P46063 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
SCHEMBL8935468 0.85 CARM1 (0.58) CARM1PRMT6ALDH1A1MEN1KMT2A
SCHEMBL6461987 0.82 KMT2A (0.63) CARM1PRMT6ALDH1A1MEN1KMT2A
SCHEMBL2236118 0.82 KMT2A (0.63) CARM1PRMT6ALDH1A1MEN1KMT2A
SCHEMBL1790978 0.82 KMT2A (0.63) CARM1PRMT6ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5966886 0.81 CARM1 (0.62) CARM1PRMT6ALDH1A1MEN1KMT2A
SCHEMBL1067813 0.80 HRH3 (0.61) FFAR1
SCHEMBL9130764 0.80 HRH3 (0.61) FFAR1
SCHEMBL8935389 0.80 LMNA (0.67) FFAR1LMNAALDH1A1S1PR1S1PR3
SCHEMBL10423181 0.77 KMT2A (0.77) ALDH1A1KMT2A
SCHEMBL4653157 0.77 BACE1 (0.63) CARM1PRMT6LMNAALDH1A1MEN1

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-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed