SCHEMBL11852211

SCHEMBL11852211

Fc1cccc(C2NCCNc3ccc(Cl)cc32)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 3/20 0.47
TRPM5 Q9NZQ8 3/20 0.47
GID4 Q8IVV7 1/20 0.42
HTR2A P28223 7/20 0.36
HTR2C P28335 7/20 0.36
ALOX12 P18054 1/20 0.35
JAK2 O60674 1/20 0.35
PRCP P42785 1/20 0.35
HTR2B P41595 1/20 0.34
RORC P51449 1/20 0.34
PGR P06401 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
SCHEMBL11679676 0.84 PRCP (0.45) TRPM4TRPM5GID4HTR2AHTR2C
Hydrochloric Acid SCHEMBL11852646 0.83 PRCP (0.44) TRPM4TRPM5GID4HTR2AHTR2C
SCHEMBL10153626 0.72 MAP4K1 (0.44) HTR2AHTR2CHTR2B
SCHEMBL11646760 0.69 TRPM4 (0.41) TRPM4TRPM5
SCHEMBL11644360 0.69 TRPM4 (0.41) TRPM4TRPM5
Hydrochloric Acid SCHEMBL20912488 0.68 GID4 (0.51) TRPM4TRPM5GID4HTR2AHTR2C
SCHEMBL28038489 0.67 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL23274901 0.67 PRCP (0.69) GID4PRCP
SCHEMBL29924153 0.67 PRCP (0.69) GID4PRCP
SCHEMBL763552 0.67 HTR2A (0.77) HTR2AHTR2CHTR2B

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-3984545-A 3,4-DIHYDROXY-PHENYL-1-ANALINE WITH BENZODIAZEPINES THE UPJOHN COMPANY (US) 1976-10-05 US disclosed
US-3945875-A UNSATURATED ISOCYANATES, ADHESIVES, PEROXIDE CURING AGENT THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-03-23 US disclosed