SCHEMBL7375713

SCHEMBL7375713

CCN(CC)C(=O)NC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALOX15 P16050 1/20 0.49
ATM Q13315 1/20 0.49
TACR1 P25103 1/20 0.48
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CCR5 P51681 4/20 0.42
GPR119 Q8TDV5 2/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
STS P08842 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
SCHEMBL7600715 0.83 ALDH1A1 (0.60) TSHRALOX15ATMTACR1OPRD1
SCHEMBL8364780 0.83 TSHR (0.50) TSHRALOX15ATMTACR1OPRD1
SCHEMBL4630124 0.83 TSHR (0.50) TSHRALOX15ATMTACR1OPRD1
SCHEMBL8364745 0.81 TSHR (0.52) TSHRALOX15ATMTACR1OPRD1
SCHEMBL6543160 0.81 TSHR (0.57) TSHRALOX15ATMTACR1OPRD1
SCHEMBL28872311 0.78 TSHR (0.54) TSHRALOX15ATMTACR1OPRD1
SCHEMBL4631302 0.78 ALDH1A1 (0.60) TSHRALOX15ATMTACR1OPRD1
SCHEMBL8364603 0.76 EPHX1 (0.57) TSHRALOX15ATMTACR1OPRD1
SCHEMBL6423231 0.76 KMT2A (0.51) TSHRPOLBKDM4EPKMALDH1A1
SCHEMBL2470236 0.75 HDAC3 (0.54) TSHRALOX15ATMTACR1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6465489-B1 SUCH AS 1-BENZOYL-3-(3,4-DICHLOROPHENYL)-3-(3-(4-(N',N'-DIMETHYLUREIDO)-4 -PHENYLPIPERIDIN-1-)PROPYL)PIPERIDINE; PSYCHIATRIC AND PSYCHOSOMATIC ILLNESSES, HYPERTENSION, CENTRAL OR PERIPHERAL PATHOLOGY SANOFI-SYNTHELABO (FR) 2002-10-15 US disclosed
EP-1119552-A1 UREIDOPIPERIDINE DERIVATIVES AS SELECTIVE HUMAN NK 3? RECEPTOR ANTAGONISTS SANOFI-SYNTHELABO (FR) 2001-08-01 EP disclosed
WO-2000021931-A1 UREIDOPIPERIDINE DERIVATIVES AS SELECTIVE HUMAN NK3 RECEPTOR ANTAGONISTS SANOFI-SYNTHELABO (FR) 2000-04-20 WO disclosed
US-5965580-A TREATMENT OF SUBSTANCE P- AND NEUROKININ-DEPENDENT DISORDERS SANOFI (FR) 1999-10-12 US disclosed
US-5939411-A PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES SANOFI (FR) 1999-08-17 US disclosed
US-5830906-A Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI (FR) 1998-11-03 US disclosed