SCHEMBL8935389

SCHEMBL8935389

NCCC(=O)NCc1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
TSHR P16473 2/20 0.66
RECQL P46063 1/20 0.66
ALDH1A1 P00352 2/20 0.64
FFAR1 O14842 2/20 0.62
TRPV1 Q8NER1 1/20 0.59
KDM1A O60341 1/20 0.59
TAAR1 Q96RJ0 1/20 0.58
S1PR1 P21453 1/20 0.57
S1PR3 Q99500 1/20 0.57
GAA P10253 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL8935458 0.84 GAA (0.66) LMNAALDH1A1TRPV1GAAHDAC3
SCHEMBL7353744 0.81 GAA (0.75) TSHRRECQLALDH1A1TRPV1GAA
SCHEMBL18376355 0.80 TSHR (0.59) LMNATSHRRECQLALDH1A1FFAR1
SCHEMBL8635975 0.80 LTA4H (0.64) LMNARECQLALDH1A1TAAR1
Hydrochloric Acid SCHEMBL1128739 0.80 GAA (0.72) TSHRRECQLALDH1A1TRPV1GAA
SCHEMBL8935401 0.80 CARM1 (0.57) LMNATSHRRECQLALDH1A1FFAR1
SCHEMBL31329317 0.78 ALDH1A1 (1.00) LMNATSHRALDH1A1TRPV1GAA
SCHEMBL3435489 0.78 TRPV1 (0.84) LMNAALDH1A1TRPV1GAAHDAC3
SCHEMBL13886620 0.78 HTR2A (0.68) FFAR1TAAR1S1PR1S1PR3
SCHEMBL453501 0.78 FFAR1 (0.63) FFAR1TAAR1S1PR1S1PR3

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