SCHEMBL7968115

SCHEMBL7968115

N[C@@H]1CCN(C2CCC(c3ccc(F)cc3O)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
HTR1A P08908 8/20 0.36
DPP4 P27487 4/20 0.35
DPP9 Q86TI2 4/20 0.35
DPP8 Q6V1X1 3/20 0.35
SLC6A4 P31645 1/20 0.35
DPP7 Q9UHL4 3/20 0.34
ABCB1 P08183 1/20 0.33

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
Hydrochloric Acid SCHEMBL7970745 0.99 KDM1A (0.39) KDM1AMAOAMAOBGRIN1GRIN2B
SCHEMBL7965565 0.85 TRPC3 (0.38) KDM1AMAOAMAOBHTR1ADPP4
Hydrochloric Acid SCHEMBL7081827 0.84 TRPC3 (0.38) KDM1AMAOAMAOBHTR1ADPP4
SCHEMBL6966309 0.81 ADRA1D (0.46) HTR1AABCB1
Hydrochloric Acid SCHEMBL6954854 0.80 ADRA1D (0.45) HTR1AABCB1
SCHEMBL7968131 0.79 MEN1 (0.39) KDM1AMAOAMAOBHTR1ASLC6A4
SCHEMBL7968135 0.79 MEN1 (0.39) KDM1AMAOAMAOBHTR1ASLC6A4
SCHEMBL2049316 0.78 CA3 (0.48) KDM1AHTR1ASLC6A4
SCHEMBL7970183 0.77 TRPC3 (0.48) KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL7965026 0.76 TRPC3 (0.47) KDM1AMAOAMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US claimed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed