SCHEMBL9305800

SCHEMBL9305800

[CH2]CCCCCCCCCc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.55
▸ IDO1 P14902 2/20 0.48
▸ AGXT P21549 2/20 0.48
▸ MAOB P27338 2/20 0.46
▸ SIGMAR1 Q99720 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CNR1 P21554 1/20 0.39

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
SCHEMBL1045822 1.00 TAAR1 (0.55) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL8555409 0.98 TAAR1 (0.57) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL1044622 0.92 TAAR1 (0.59) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL19524669 0.90 TAAR1 (0.65) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL28585404 0.84 TAAR1 (0.59) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL16203114 0.84 TAAR1 (0.59) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL30444743 0.84 TAAR1 (0.59) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL1007645 0.84 TAAR1 (0.63) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL5240585 0.83 TAAR1 (0.68) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL15810321 0.82 TAAR1 (0.57) TAAR1IDO1AGXTMAOBSIGMAR1

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-5354729-A Controlling weeds at low dosage; nonphytotoxic SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-10-11 — — US disclosed
EP-0579469-A2 N-acyldihydroquinoline derivatives as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-01-19 — — EP disclosed
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