SCHEMBL9623716

SCHEMBL9623716

Cc1ccc2c(c1C)CCN(CCCN(C)CCc1c[nH]c3ccccc13)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
RAB9A P51151 3/20 0.42
HTR1A P08908 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
SLC6A4 P31645 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9624815 0.90 KDM4E (0.45) RAB9ASMN1; SMN2HTR2AMAPTNPC1
SCHEMBL9624653 0.90 LMNA (0.46) RAB9AHTR1ASMN1; SMN2HTR2AHTR2C
SCHEMBL9624812 0.88 SLC6A4 (0.45) HTR1AHTR2AHTR2CHTR2BMAPT
SCHEMBL9624308 0.87 HTR1A (0.48) RAB9AHTR1ASMN1; SMN2HTR2AHTR2C
SCHEMBL9624696 0.85 HTR1D (0.53) MAPTMEN1KMT2ASLC6A4KDM4E
SCHEMBL9625216 0.84 TACR2 (0.41) BCHERAB9AHTR1ASMN1; SMN2HTR2A
SCHEMBL9624805 0.83 SIGMAR1 (0.38) RAB9AHTR1ASMN1; SMN2HTR2AMAPT
SCHEMBL9624315 0.82 ALOX15 (0.36) RAB9AHTR1ASMN1; SMN2HTR2AMAPT
SCHEMBL10651047 0.80 HCN4 (0.50) BCHERAB9AHTR1ASMN1; SMN2HTR2A
SCHEMBL9623773 0.80 BCHE (0.46) BCHERAB9AHTR1ASMN1; SMN2HTR2A

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-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US disclosed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 US disclosed