SCHEMBL14587882

SCHEMBL14587882

Cc1cc2cc(CCl)cnc2cc1NC(=O)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.55
MCHR1 Q99705 4/20 0.55
ALDH1A1 P00352 1/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
DHODH Q02127 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 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 SCHEMBL5648457 0.99 HTR2C (0.54) HTR2CMCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5648007 0.90 HTR2C (0.56) HTR2CMCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5645579 0.86 MCHR1 (0.73) HTR2CMCHR1MAPTSMN1; SMN2
SCHEMBL27611493 0.84 HTR2C (0.58) HTR2CMCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5645354 0.83 MCHR1 (0.78) HTR2CMCHR1
SCHEMBL5649248 0.83 HTR2C (0.48) HTR2CMCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5647726 0.83 MCHR1 (0.77) HTR2CMCHR1
SCHEMBL14587881 0.80 MCHR1 (0.57) HTR2CMCHR1
Hydrochloric Acid SCHEMBL5648012 0.79 MCHR1 (0.56) HTR2CMCHR1
SCHEMBL14587880 0.76 MCHR1 (0.56) HTR2CMCHR1MAPTTDP1CCNA2

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-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed