SCHEMBL8409803

SCHEMBL8409803

O=C(OC(Cc1ccc2ccccc2c1)C(=O)N1CCc2ccccc2C1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.42
F10 P00742 1/20 0.42
DPP8 Q6V1X1 2/20 0.40
NLN Q9BYT8 1/20 0.40
CHRM4 P08173 1/20 0.40
KMT2A Q03164 1/20 0.40
ACE P12821 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HPGD P15428 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
HTR4 Q13639 1/20 0.39
KEAP1 Q14145 1/20 0.39

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 SCHEMBL6169748 0.78 KMT2A (0.49) HDAC8F10KMT2ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6164678 0.75 HDAC8 (0.74) HDAC8F10DPP8NLNACE
SCHEMBL7650239 0.73 KMT2A (0.56) HDAC8F10DPP8KMT2AACE
Hydrochloric Acid SCHEMBL6166952 0.70 MC4R (0.44) F10KMT2A
Hydrochloric Acid SCHEMBL6161233 0.70 MC4R (0.46) F10KMT2A
Hydrochloric Acid SCHEMBL6161239 0.70 MC4R (0.46) F10KMT2A
SCHEMBL3280208 0.70 KEAP1 (0.74) CHRM4KMT2AHPGDKEAP1
SCHEMBL6168383 0.70 MAPK1 (0.51) F10KMT2ANPC1RAB9A
SCHEMBL6168374 0.70 MAPK1 (0.51) F10KMT2ANPC1RAB9A
SCHEMBL7647840 0.69 ADORA1 (0.47) HDAC8F10DPP8KMT2AACE

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-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed