SCHEMBL11227694

SCHEMBL11227694

Clc1ccc(NCC2=NCCN2)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 13/20 0.69
▸ ADRA2B P18089 11/20 0.69
▸ ADRA1D P25100 16/20 0.67
▸ ADRA1A P35348 16/20 0.67
▸ ADRA1B P35368 14/20 0.67
▸ ADRA2A P08913 11/20 0.67
▸ MAOA P21397 2/20 0.51
▸ MAOB P27338 2/20 0.51
▸ NISCH Q9Y2I1 1/20 0.51

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
SCHEMBL11233332 0.83 ADRA1A (0.61) ADRA2CADRA2BADRA1DADRA1AADRA1B
SCHEMBL11231308 0.82 ADRA2C (1.00) ADRA2CADRA2BADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL11227435 0.81 ADRA2C (0.97) ADRA2CADRA2BADRA1DADRA1AADRA1B
SCHEMBL3173010 0.78 MAOA (0.71) ADRA2CADRA2BADRA1DADRA1AADRA1B
SCHEMBL6366946 0.78 ADRA1A (1.00) ADRA2CADRA2BADRA1DADRA1AADRA1B
SCHEMBL3169152 0.77 MAOA (0.68) ADRA2CADRA2BADRA1DADRA1AADRA1B
SCHEMBL4209729 0.77 ADRA2C (0.78) ADRA2CADRA2BADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9652264 0.76 ADRA2C (0.60) ADRA2CADRA2BADRA1DADRA1AADRA1B
SCHEMBL6366979 0.76 ADRA1A (0.72) ADRA2CADRA2BADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9654151 0.75 ADRA2C (0.76) ADRA2CADRA2BADRA1DADRA1AADRA1B

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-4343810-A Method of inhibiting sickling of sickle erythrocytes using 2-((haloanilino)methyl)-2-imidazolines THE DOW CHEMICAL COMPANY (US) 1982-08-10 — — US claimed
US-4343810-A Method of inhibiting sickling of sickle erythrocytes using 2-((haloanilino)methyl)-2-imidazolines THE DOW CHEMICAL COMPANY (US) 1982-08-10 — — US disclosed
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