SCHEMBL11577771

SCHEMBL11577771

C=CC(c1c[nH]c2ccccc12)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 2/20 0.43
JAK2 O60674 1/20 0.43
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 2/20 0.43
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.38
CYP2D6 P10635 2/20 0.38
TP53 P04637 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
SCHEMBL742887 0.87 GPR84 (0.42) LMNAHTTKDM4ERAB9AGPR84
SCHEMBL3380819 0.82 KDM4E (0.54) KDM4EALDH1A1KMT2APOLBHTR2C
SCHEMBL10512676 0.82 ADRB1 (0.38) LMNAHTTKDM4EMAPK1RAB9A
SCHEMBL4797771 0.81 GPR84 (0.39) LMNAHTTKDM4ERAB9AGPR84
SCHEMBL11577773 0.81 GPR84 (0.39) LMNAHTTKDM4EMAPK1RAB9A
SCHEMBL6985439 0.81 MAPK1 (0.48) LMNAHTTKDM4EMAPK1RAB9A
SCHEMBL8149052 0.79 CCNT1 (0.44) GPR84KMT2AHTR2A
SCHEMBL9456621 0.78 GPR84 (0.54) LMNAHTTKDM4EMAPK1RAB9A
SCHEMBL5261760 0.75 GPR84 (0.46) LMNAHTTKDM4EMAPK1RAB9A
SCHEMBL5260086 0.74 GPR84 (0.47) LMNAHTTKDM4EMAPK1RAB9A

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-4177279-A 1-[(3-Indolyl)-alkyl]-piperidyl ureas and hypotensive compositions JOHN WYETH & BROTHER LTD. (GB) 1979-12-04 US disclosed