SCHEMBL11149396

SCHEMBL11149396

O=C(O)C=CCCCc1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 4/20 0.53
TBXAS1 P24557 5/20 0.49
HRH1 P35367 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL6509888 0.93 TBXAS1 (0.50) GPR52TBXAS1HRH1TRPV1
SCHEMBL6509883 0.93 TBXAS1 (0.50) GPR52TBXAS1HRH1TRPV1
SCHEMBL5847965 0.84 GPR52 (0.56) GPR52TBXAS1TRPV1TAAR1
SCHEMBL5847973 0.84 GPR52 (0.56) GPR52TBXAS1TRPV1TAAR1
SCHEMBL1953057 0.81 HRH1 (0.54) GPR52HRH1
SCHEMBL1953062 0.81 HRH1 (0.54) GPR52HRH1
SCHEMBL10658495 0.81 TRPV1 (0.60) TBXAS1TRPV1
SCHEMBL1009881 0.79 TRPV1 (0.61) GPR52TBXAS1TRPV1TAAR1
SCHEMBL1150822 0.79 TRPV1 (0.61) GPR52TBXAS1TRPV1TAAR1
SCHEMBL11065492 0.78 TBXAS1 (0.64) GPR52TBXAS1

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-4374924-A CATIONIC POLYMERS COMPRISING QUATERNIZED COPOLYMERS OF P-DIVINYLBENZENE OR A DIACRYLIC ESTER AND AN AMINO-CONTAINING ACRYLIC ESTER OR AMIDE FUJI PHOTO FILM CO., LTD. (JP) 1983-02-22 US disclosed