SCHEMBL7970183

SCHEMBL7970183

N[C@@H]1CCN(C2CCC(c3ccc(F)cc3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 13/20 0.48
TRPC6 Q9Y210 12/20 0.48
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ESRRG P62508 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
Hydrochloric Acid SCHEMBL7965029 0.98 TRPC3 (0.47) TRPC3TRPC6KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL7965026 0.98 TRPC3 (0.47) TRPC3TRPC6KDM1AMAOAMAOB
SCHEMBL8150797 0.81 TRPC6 (0.45) TRPC3TRPC6KDM1AMAOAMAOB
SCHEMBL7970182 0.80 DPP4 (0.49) KDM4EMEN1ALDH1A1KMT2ACYP2D6
SCHEMBL7968115 0.77 KDM1A (0.40) KDM1AMAOAMAOB
SCHEMBL24530845 0.77 TRPC3 (0.54) TRPC3TRPC6KDM1A
SCHEMBL24530963 0.77 TRPC3 (0.54) TRPC3TRPC6KDM1A
SCHEMBL24530819 0.77 TRPC3 (0.54) TRPC3TRPC6KDM1A
Hydrochloric Acid SCHEMBL7970745 0.76 KDM1A (0.39) TRPC3TRPC6KDM1AMAOAMAOB
SCHEMBL7955785 0.76 KDM1A (0.46) KDM1AMAOAMAOBKDM4EMEN1

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