SCHEMBL7965565

SCHEMBL7965565

N#Cc1cc(F)ccc1C1CCC(N2CC[C@@H](N)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 7/20 0.38
TRPC6 Q9Y210 6/20 0.38
KDM1A O60341 3/20 0.36
DPP4 P27487 3/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
SSTR2 P30874 3/20 0.35
HTR1A P08908 2/20 0.35
SSTR4 P31391 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
FFAR4 Q5NUL3 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
Hydrochloric Acid SCHEMBL7081827 0.99 TRPC3 (0.38) TRPC3TRPC6KDM1ADPP4MAOA
SCHEMBL7968115 0.85 KDM1A (0.40) KDM1ADPP4MAOAMAOBHTR1A
Hydrochloric Acid SCHEMBL7970745 0.84 KDM1A (0.39) TRPC3TRPC6KDM1ADPP4MAOA
Hydrochloric Acid SCHEMBL6961572 0.81 KDM1A (0.43) TRPC3TRPC6KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL7955138 0.81 KDM1A (0.43) TRPC3TRPC6KDM1AMAOAMAOB
SCHEMBL6966309 0.79 ADRA1D (0.46) HTR1A
Hydrochloric Acid SCHEMBL6954854 0.78 ADRA1D (0.45) HTR1A
SCHEMBL7968135 0.77 MEN1 (0.39) KDM1AMAOAMAOBHTR1A
SCHEMBL7968131 0.77 MEN1 (0.39) KDM1AMAOAMAOBHTR1A
SCHEMBL7970183 0.76 TRPC3 (0.48) TRPC3TRPC6KDM1AMAOAMAOB

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