SCHEMBL7970182

SCHEMBL7970182

NC(=O)[C@@H]1CCN(C2CCC(c3ccc(F)cc3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.49
DPP9 Q86TI2 4/20 0.49
DPP7 Q9UHL4 4/20 0.49
DPP8 Q6V1X1 3/20 0.49
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
PARP10 Q53GL7 1/20 0.43
ESRRG P62508 1/20 0.41
NOTUM Q6P988 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MGLL Q99685 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TACR1 P25103 1/20 0.39
ATM Q13315 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
SCHEMBL7970183 0.80 TRPC3 (0.48) KMT2AALDH1A1KDM4EMEN1ESRRG
SCHEMBL7968924 0.78 DPP4 (0.43) DPP4DPP9DPP7DPP8KMT2A
SCHEMBL7955781 0.78 DPP4 (0.43) DPP4DPP9DPP7DPP8KMT2A
Hydrochloric Acid SCHEMBL7965026 0.78 TRPC3 (0.47) KMT2AALDH1A1KDM4EMEN1ESRRG
Hydrochloric Acid SCHEMBL7965029 0.78 TRPC3 (0.47) KMT2AALDH1A1KDM4EMEN1ESRRG
SCHEMBL15422012 0.78 CHRM1 (0.49) DPP4DPP9DPP7DPP8KMT2A
Hydrochloric Acid SCHEMBL2146257 0.77 CHRM1 (0.47) DPP4DPP9DPP7DPP8KMT2A
SCHEMBL1334012 0.74 KMT2A (0.48) KMT2AALDH1A1KDM4EPARP10NPC1
SCHEMBL12124068 0.74 KMT2A (0.48) KMT2AALDH1A1KDM4EPARP10NPC1
SCHEMBL8150019 0.73 ALDH1A1 (0.41) DPP4DPP9DPP8KMT2AALDH1A1

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