SCHEMBL11387254

SCHEMBL11387254

CN1CCN2C(=O)c3cc(Br)ccc3C2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 9/20 0.50
▸ HTR2C P28335 8/20 0.50
▸ HTR2B P41595 8/20 0.50
▸ HTR1A P08908 5/20 0.40
▸ DRD3 P35462 5/20 0.40
▸ DRD4 P21917 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HTR1D P28221 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CHRM2 P08172 2/20 0.40

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
SCHEMBL11380666 0.85 HTR2A (0.50) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL25998333 0.81 MEN1 (0.50) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL11377237 0.80 HTR2A (0.57) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL11392239 0.80 HTR2A (0.48) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL11381341 0.76 HTR2A (0.47) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL11385117 0.73 HTR2A (0.51) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL11386254 0.72 CYP3A4 (0.44) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL11377718 0.70 HTR2A (0.41) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL11379226 0.69 HTR2A (0.38) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL11379640 0.67 HTR2A (0.39) HTR2AHTR2CHTR2BHTR1ADRD3

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-4273773-A IN COMBINATION WITH A DIURETIC AMERICAN HOME PRODUCTS CORPORATION (US) 1981-06-16 — — US disclosed
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