SCHEMBL8701081

SCHEMBL8701081

CCC(NCCCc1ccccc1)C(O)c1ccc(CN2CCCCCC2)s1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.38
HRH3 Q9Y5N1 3/20 0.36
LTA4H P09960 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4A O75164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.34

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 SCHEMBL9033421 0.83 SMN1; SMN2 (0.41) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8697846 0.79 OPRK1 (0.44) HRH3TSHRSMN1; SMN2
SCHEMBL8703407 0.78 HRH3 (0.39) SIGMAR1HRH3LTA4HALDH1A1
SCHEMBL8702811 0.74 HRH3 (0.40) SIGMAR1HRH3LTA4HTSHRALDH1A1
SCHEMBL9033216 0.74 ALDH1A1 (0.40) HRH3TSHRALDH1A1MEN1KMT2A
SCHEMBL9031813 0.73 HRH3 (0.41) HRH3ALDH1A1SMN1; SMN2
SCHEMBL8698602 0.73 HRH3 (0.38) SIGMAR1HRH3LTA4HALDH1A1SLC6A3
SCHEMBL8697765 0.73 HRH3 (0.43) HRH3ALDH1A1SMN1; SMN2
SCHEMBL9035119 0.72 HRH3 (0.39) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9034272 0.70 ATM (0.45) HRH3TSHRALDH1A1SMN1; SMN2

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-5834460-A FOR TREATMENT OF BRAIN OR PSYCHOLOGICAL DISORDERS, ALZHEIMER*S DISEASE, MENTAL RETARDATION OR AUTISM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed