SCHEMBL20032025

SCHEMBL20032025

CCC(N)Cc1cccc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
SLC6A4 P31645 2/20 0.41
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
PDE8B O95263 1/20 0.36
P2RX7 Q99572 1/20 0.36
HTR2A P28223 1/20 0.36
MBOAT4 Q96T53 1/20 0.35
MPO P05164 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CRHR1 P34998 1/20 0.35
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
OPRM1 P35372 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
SCHEMBL7027270 0.90 NOS2 (0.45) NOS3NOS2SLC6A4CCR1CCR8
SCHEMBL20897039 0.81 TAAR1 (0.47) NOS3NOS2SLC6A4CCR1CCR8
SCHEMBL20279218 0.81 NOS3 (0.37) NOS3NOS2SLC6A4CCR1CCR8
SCHEMBL20099893 0.81 NOS3 (0.37) NOS3NOS2SLC6A4CCR1CCR8
SCHEMBL6917369 0.78 NOS2 (0.35) NOS3NOS2CCR1CCR8SMN1; SMN2
Hydrochloric Acid SCHEMBL6915777 0.78 NOS2 (0.36) NOS3NOS2CCR1CCR8SMN1; SMN2
Bromide SCHEMBL6908603 0.78 NOS2 (0.36) NOS3NOS2CCR1CCR8SMN1; SMN2
Bromide SCHEMBL6917946 0.77 NOS2 (0.34) NOS3NOS2CCR1CCR8SMN1; SMN2
Hydrochloric Acid SCHEMBL6918084 0.77 CXCR4 (0.35) NOS3NOS2CCR1CCR8SMN1; SMN2
SCHEMBL2614966 0.76 KDM4E (0.46) NOS3NOS2CCR1CCR8SMN1; SMN2

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-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed