SCHEMBL11264978

SCHEMBL11264978

CCCN(CCC)N(C(C)=O)c1nc2cc3nc(N)sc3cc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
HTR2C P28335 1/20 0.39
RAD52 P43351 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
EPHX2 P34913 1/20 0.37
KCNH2 Q12809 2/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 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
SCHEMBL11264141 0.92 HTR2C (0.43) DRD2DRD4DRD3SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11255073 0.91 RAD52 (0.44) SMN1; SMN2ALDH1A1TP53HTR2CRAD52
SCHEMBL11259076 0.90 SMN1; SMN2 (0.41) DRD2DRD4DRD3SMN1; SMN2CYP3A4
SCHEMBL11256677 0.82 HTR2C (0.42) SMN1; SMN2ALDH1A1TP53HTR2CRAD52
SCHEMBL11262762 0.76 HTR2C (0.35) TP53HTR2CRAD52RAB9AGAA
SCHEMBL11254540 0.74 HTR2C (0.45) SMN1; SMN2ALDH1A1TP53TSHRHTR2C
SCHEMBL11253928 0.71 HTR2C (0.40) SMN1; SMN2ALDH1A1TP53TSHRHTR2C
SCHEMBL11271216 0.70 HTR2C (0.34) TP53HTR2CRAD52
SCHEMBL11256191 0.70 HDAC6 (0.38) SMN1; SMN2ALDH1A1TP53HTR2CRAD52
SCHEMBL11260549 0.69 HTR2C (0.36) TSHRHTR2CRAD52RAB9ANPC1

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-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 US disclosed