SCHEMBL9740732

SCHEMBL9740732

COc1ccc(CCN2CCCC(CN3CCc4cc5c(cc4CC3=O)OCO5)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
MCHR1 Q99705 3/20 0.40
ABCB1 P08183 2/20 0.39
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCR3 P51677 1/20 0.38

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 SCHEMBL9739412 0.99 MEN1 (0.47) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL9741218 0.94 MEN1 (0.40) MEN1KMT2ANPC1RAB9AGAA
Hydrochloric Acid SCHEMBL10376910 0.94 MEN1 (0.41) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL9739546 0.90 HCN4 (0.49) MEN1KMT2AGAAMCHR1ABCB1
SCHEMBL9739498 0.90 ABCB1 (0.51) MEN1KMT2ANPC1RAB9AGAA
Hydrochloric Acid SCHEMBL9738957 0.89 CYP3A4 (0.50) MEN1KMT2AGAAMCHR1ABCB1
Hydrochloric Acid SCHEMBL9215351 0.89 MEN1 (0.47) MEN1KMT2ANPC1RAB9AGAA
Hydrochloric Acid SCHEMBL9739563 0.89 GAA (0.51) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL9739483 0.89 LTA4H (0.42) MEN1KMT2AMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL9740652 0.88 LTA4H (0.42) MEN1KMT2AMCHR1ALDH1A1

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0224794-B1 CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1990-09-12 EP disclosed